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Ipsenol

CAT: 0926-FI44952-04Size: 2 gDry Ice: NoHazardous: No
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CAT#:0926-FI44952-04Size:2 g
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CAS Number
14314-21-7
Synonyms
(+/-) -2-Methyl-6-methylene-7-octen-4-ol
MDL Number
MFCD00151184
Smiles
CC (C) CC (CC (=C) C=C) O
Molecular Formula
C10H18O
Molecular Weight
154.25 g/mol
Controlled
No

Chemical Information

2-Methyl-6-methylene-7-octen-4-ol

See also: (-)-Ipsenol (annotation moved to).

CAS Number14314-21-7
PubChem CID85712
IUPAC Name2-methyl-6-methylideneoct-7-en-4-ol
Molecular FormulaC10H18O
Molecular Weight154.25
XLogP3.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity136
SMILES
CC(C)CC(CC(=C)C=C)O
InChI
InChI=1S/C10H18O/c1-5-9(4)7-10(11)6-8(2)3/h5,8,10-11H,1,4,6-7H2,2-3H3
InChIKey
RHAXCOKCIAVHPB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-6-methylene-7-octen-4-ol
CAS: 14314-21-7
CID: 85712
Formula: C10H18O
MW: 154.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.25
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass154.135765193
Monoisotopic Mass154.135765193
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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