3-Ethyl-3-methylheptane

CAT: 0127-OR1077347Size: 1 mLDry Ice: NoHazardous: No

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CAT#:0127-OR1077347Size:1 mL

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CAS Number

17302-01-1

MDL Number

MFCD00048812

Purity

>99.0%

Smiles

CCCCC (C) (CC) CC

Chemical Information

3-Ethyl-3-methylheptane

CAS Number	17302-01-1
PubChem CID	140213
IUPAC Name	3-ethyl-3-methylheptane
Molecular Formula	C10H22
Molecular Weight	142.28
XLogP	5.2
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	70

SMILES

CCCCC(C)(CC)CC

InChI

InChI=1S/C10H22/c1-5-8-9-10(4,6-2)7-3/h5-9H2,1-4H3

InChIKey

HSOMNBKXPGCNBH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17302-01-1

CID: 140213

Formula: C10H22

MW: 142.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.28
XLogP3	5.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	5
Exact Mass	142.172150702
Monoisotopic Mass	142.172150702
Topological Polar Surface Area	0 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	70.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes