(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane

C13H26 — CID 169042978

IUPAC(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
SMILESCC1CCC(C(C)C)[C@H](C(C)C)C1
InChIInChI=1S/C13H26/c1-9(2)12-7-6-11(5)8-13(12)10(3)4/h9-13H,6-8H2,1-5H3/t11?,12?,13-/m0/s1
InChIKeyIQSWHLFCLHONJS-BPCQOVAHSA-N
MW182.35 g/mol
LogP4.35
Rot. Bonds2

About (2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane

(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane (PubChem CID 169042978) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is (2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane.

Molecular Properties

Compound Name(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
PubChem CID169042978
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
SMILESCC1CCC(C(C)C)[C@H](C(C)C)C1
InChIInChI=1S/C13H26/c1-9(2)12-7-6-11(5)8-13(12)10(3)4/h9-13H,6-8H2,1-5H3/t11?,12?,13-/m0/s1
InChIKeyIQSWHLFCLHONJS-BPCQOVAHSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 173263952
trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 142957322
(2R)-1,4-dimethyl-2-propan-2-ylcyclohexane
CID 149206895
1-(5-methyl-2-propan-2-ylcyclohexyl)ethane-1,2-diol
CID 67111388
(1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane
CID 135011931
(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexan-1-ol
CID 15605903
dimethyl-bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane
CID 177420575
[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)methyl]cycloheptane
CID 173286902
2,6-bis(5-methyl-2-propan-2-ylcyclohexyl)heptan-4-one
CID 21245671
2-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)acetic acid
CID 57350907
hexakis[(-)-menthyl]distannane
CID 86177037
CID 66630118
CID 66630118

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane?
The IUPAC name of (2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane (CID 169042978) is (2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane.
What is the SMILES notation for (2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane?
The canonical SMILES for (2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane is CC1CCC(C(C)C)[C@H](C(C)C)C1.
What is the InChIKey of (2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane?
The InChIKey is IQSWHLFCLHONJS-BPCQOVAHSA-N. The full InChI is InChI=1S/C13H26/c1-9(2)12-7-6-11(5)8-13(12)10(3)4/h9-13H,6-8H2,1-5H3/t11?,12?,13-/m0/s1.
What are the key properties of (2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane?
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane has a molecular weight of 182.35 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane is sourced from PubChem (CID 169042978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).