ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane

C17H34 — CID 171814310

IUPACethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
SMILESCC.CC1CCCC(CC2CCCC(C)C2)C1
InChIInChI=1S/C15H28.C2H6/c1-12-5-3-7-14(9-12)11-15-8-4-6-13(2)10-15;1-2/h12-15H,3-11H2,1-2H3;1-2H3
InChIKeyVQDJKNWFZXCKCC-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.06
Rot. Bonds2

About ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane

ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane (PubChem CID 171814310) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane.

Molecular Properties

Compound Nameethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
PubChem CID171814310
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Nameethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
SMILESCC.CC1CCCC(CC2CCCC(C)C2)C1
InChIInChI=1S/C15H28.C2H6/c1-12-5-3-7-14(9-12)11-15-8-4-6-13(2)10-15;1-2/h12-15H,3-11H2,1-2H3;1-2H3
InChIKeyVQDJKNWFZXCKCC-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 19860313
2-methyl-4-[(3-methylcyclohexyl)methyl]cyclohexan-1-amine
CID 90208733
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
[(1S)-3-methylcyclohexyl]methanol
CID 89207619
(3-methylcyclohexyl)methanamine
CID 18361468
cis-(1S,3R)-1-(2,2-dimethylpropyl)-3-methylcyclohexane
CID 158565558
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
(3S)-1-(methoxymethyl)-3-methylcyclohexane
CID 142198036
(1R)-1,3-dimethylcyclohexane
CID 12594306
1-(3-bromo-2-methylpropyl)-3-methylcyclohexane
CID 64670996
1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane
CID 142912938

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane?
The IUPAC name of ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane (CID 171814310) is ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane.
What is the SMILES notation for ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane?
The canonical SMILES for ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane is CC.CC1CCCC(CC2CCCC(C)C2)C1.
What is the InChIKey of ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane?
The InChIKey is VQDJKNWFZXCKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28.C2H6/c1-12-5-3-7-14(9-12)11-15-8-4-6-13(2)10-15;1-2/h12-15H,3-11H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane?
ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane has a molecular weight of 238.46 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane is sourced from PubChem (CID 171814310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).