ethane;pentan-2-ylcyclohexane

C17H40 — CID 143225886

IUPACethane;pentan-2-ylcyclohexane
SMILESCC.CC.CC.CCCC(C)C1CCCCC1
InChIInChI=1S/C11H22.3C2H6/c1-3-7-10(2)11-8-5-4-6-9-11;3*1-2/h10-11H,3-9H2,1-2H3;3*1-2H3
InChIKeyYFSCJBVJMBLQHT-UHFFFAOYSA-N
MW244.51 g/mol
LogP7.08
Rot. Bonds3

About ethane;pentan-2-ylcyclohexane

ethane;pentan-2-ylcyclohexane (PubChem CID 143225886) has the molecular formula C17H40 and a molecular weight of 244.51 g/mol. Its IUPAC name is ethane;pentan-2-ylcyclohexane.

Molecular Properties

Compound Nameethane;pentan-2-ylcyclohexane
PubChem CID143225886
Molecular FormulaC17H40
Molecular Weight244.51 g/mol
Exact Mass244.31
IUPAC Nameethane;pentan-2-ylcyclohexane
SMILESCC.CC.CC.CCCC(C)C1CCCCC1
InChIInChI=1S/C11H22.3C2H6/c1-3-7-10(2)11-8-5-4-6-9-11;3*1-2/h10-11H,3-9H2,1-2H3;3*1-2H3
InChIKeyYFSCJBVJMBLQHT-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.51
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

butane;pentan-2-ylcyclohexane
CID 143682251
7-cyclohexyloctan-4-ol
CID 66612590
butan-2-ylcyclohexane;ethane
CID 143005290
7-methyloctan-2-ylcyclohexane
CID 54518526
butan-2-ylcyclohexane;ethane;propane
CID 143477078
butan-2-ylcyclohexadecane
CID 123713671
butan-2-ylcyclopentane;ethane
CID 143236269
1-(bromomethyl)-4-pentan-2-ylcyclohexane
CID 163505099
3-pentan-2-ylazepane
CID 107889859
N-methyl-3-pentan-2-ylcyclohexan-1-amine
CID 107888158
N-(5-cyclopentylhexyl)-7,8-dimethylundecan-1-amine
CID 123655087
[(2R)-3-methylhexan-2-yl]cyclopentane
CID 163746154

Frequently Asked Questions

What is the IUPAC name of ethane;pentan-2-ylcyclohexane?
The IUPAC name of ethane;pentan-2-ylcyclohexane (CID 143225886) is ethane;pentan-2-ylcyclohexane.
What is the SMILES notation for ethane;pentan-2-ylcyclohexane?
The canonical SMILES for ethane;pentan-2-ylcyclohexane is CC.CC.CC.CCCC(C)C1CCCCC1.
What is the InChIKey of ethane;pentan-2-ylcyclohexane?
The InChIKey is YFSCJBVJMBLQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.3C2H6/c1-3-7-10(2)11-8-5-4-6-9-11;3*1-2/h10-11H,3-9H2,1-2H3;3*1-2H3.
What are the key properties of ethane;pentan-2-ylcyclohexane?
ethane;pentan-2-ylcyclohexane has a molecular weight of 244.51 g/mol, XLogP of 7.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pentan-2-ylcyclohexane is sourced from PubChem (CID 143225886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).