(R) -±-Phellandrene

CAT: 0926-EAA22198-01Size: 5 mLDry Ice: NoHazardous: No

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CAT#:0926-EAA22198-01Size:5 mL

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CAS Number

4221-98-1

MDL Number

MFCD00062988

Smiles

CC1=CC[C@@H] (C=C1) C (C) C

Molecular Formula

C10H16

Molecular Weight

136.13 g/mol

Controlled

Chemical Information

alpha-PHELLANDRENE, (-)-

(-)-alpha-phellandrene is the (R)-()-stereoisomer of alpha-phellandrene. It is an enantiomer of a (+)-alpha-phellandrene.

CAS Number	4221-98-1
PubChem CID	442482
IUPAC Name	(5R)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene
Molecular Formula	C10H16
Molecular Weight	136.23
XLogP	3.2
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	161

SMILES

CC1=CC[C@@H](C=C1)C(C)C

InChI

InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1

InChIKey

OGLDWXZKYODSOB-SNVBAGLBSA-N

Chemical Structure

2D Structure

CAS: 4221-98-1

CID: 442482

Formula: C10H16

MW: 136.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	136.23
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	136.125200510
Monoisotopic Mass	136.125200510
Topological Polar Surface Area	0 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	161
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes