(1S)-1-methyl-3-(2-methylpropyl)cyclohexane

C11H22 — CID 140722932

IUPAC(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
SMILESCC(C)CC1CCC[C@H](C)C1
InChIInChI=1S/C11H22/c1-9(2)7-11-6-4-5-10(3)8-11/h9-11H,4-8H2,1-3H3/t10-,11?/m0/s1
InChIKeyZGVQPESUNXFUMQ-VUWPPUDQSA-N
MW154.30 g/mol
LogP3.86
Rot. Bonds2

About (1S)-1-methyl-3-(2-methylpropyl)cyclohexane

(1S)-1-methyl-3-(2-methylpropyl)cyclohexane (PubChem CID 140722932) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is (1S)-1-methyl-3-(2-methylpropyl)cyclohexane.

Molecular Properties

Compound Name(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
PubChem CID140722932
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
SMILESCC(C)CC1CCC[C@H](C)C1
InChIInChI=1S/C11H22/c1-9(2)7-11-6-4-5-10(3)8-11/h9-11H,4-8H2,1-3H3/t10-,11?/m0/s1
InChIKeyZGVQPESUNXFUMQ-VUWPPUDQSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-3-(3-methylcyclohexyl)propan-1-ol
CID 57429420
1-(3-bromo-2-methylpropyl)-3-methylcyclohexane
CID 64670996
3-methyl-1-(3-methylcyclohexyl)butan-2-ol
CID 79422374
1-ethyl-3-(2-methylpropyl)cyclobutane;1-ethyl-3-(2-methylpropyl)cycloheptane;1-ethyl-3-(2-methylpropyl)cyclohexane;1-ethyl-3-(2-methylpropyl)cyclopentane;1-methyl-3-(2-methylpropyl)cyclobutane;1-methyl-3-(2-methylpropyl)cycloheptane;1-methyl-3-(2-methylpropyl)cyclohexane;1-methyl-3-(2-methylpropyl)cyclopentane
CID 161373906
1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 19860313
ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 171814310
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
2-[1-(3-methylcyclohexyl)propan-2-yloxy]ethanol
CID 175430277
methane;2-methylpropylcyclopentane
CID 161254337
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
(3-methylcyclohexyl)methanamine
CID 18361468

Frequently Asked Questions

What is the IUPAC name of (1S)-1-methyl-3-(2-methylpropyl)cyclohexane?
The IUPAC name of (1S)-1-methyl-3-(2-methylpropyl)cyclohexane (CID 140722932) is (1S)-1-methyl-3-(2-methylpropyl)cyclohexane.
What is the SMILES notation for (1S)-1-methyl-3-(2-methylpropyl)cyclohexane?
The canonical SMILES for (1S)-1-methyl-3-(2-methylpropyl)cyclohexane is CC(C)CC1CCC[C@H](C)C1.
What is the InChIKey of (1S)-1-methyl-3-(2-methylpropyl)cyclohexane?
The InChIKey is ZGVQPESUNXFUMQ-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H22/c1-9(2)7-11-6-4-5-10(3)8-11/h9-11H,4-8H2,1-3H3/t10-,11?/m0/s1.
What are the key properties of (1S)-1-methyl-3-(2-methylpropyl)cyclohexane?
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane has a molecular weight of 154.30 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methyl-3-(2-methylpropyl)cyclohexane is sourced from PubChem (CID 140722932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).