(3S)-1,1,2,3,5,5-hexamethylcyclohexane

C12H24 — CID 164756957

IUPAC(3S)-1,1,2,3,5,5-hexamethylcyclohexane
SMILESCC1[C@@H](C)CC(C)(C)CC1(C)C
InChIInChI=1S/C12H24/c1-9-7-11(3,4)8-12(5,6)10(9)2/h9-10H,7-8H2,1-6H3/t9-,10?/m0/s1
InChIKeyDEXPDXUUJBNIRM-RGURZIINSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds

About (3S)-1,1,2,3,5,5-hexamethylcyclohexane

(3S)-1,1,2,3,5,5-hexamethylcyclohexane (PubChem CID 164756957) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is (3S)-1,1,2,3,5,5-hexamethylcyclohexane.

Molecular Properties

Compound Name(3S)-1,1,2,3,5,5-hexamethylcyclohexane
PubChem CID164756957
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name(3S)-1,1,2,3,5,5-hexamethylcyclohexane
SMILESCC1[C@@H](C)CC(C)(C)CC1(C)C
InChIInChI=1S/C12H24/c1-9-7-11(3,4)8-12(5,6)10(9)2/h9-10H,7-8H2,1-6H3/t9-,10?/m0/s1
InChIKeyDEXPDXUUJBNIRM-RGURZIINSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3S)-1,1,2,3,5,5-hexamethylcyclohexane?
The IUPAC name of (3S)-1,1,2,3,5,5-hexamethylcyclohexane (CID 164756957) is (3S)-1,1,2,3,5,5-hexamethylcyclohexane.
What is the SMILES notation for (3S)-1,1,2,3,5,5-hexamethylcyclohexane?
The canonical SMILES for (3S)-1,1,2,3,5,5-hexamethylcyclohexane is CC1[C@@H](C)CC(C)(C)CC1(C)C.
What is the InChIKey of (3S)-1,1,2,3,5,5-hexamethylcyclohexane?
The InChIKey is DEXPDXUUJBNIRM-RGURZIINSA-N. The full InChI is InChI=1S/C12H24/c1-9-7-11(3,4)8-12(5,6)10(9)2/h9-10H,7-8H2,1-6H3/t9-,10?/m0/s1.
What are the key properties of (3S)-1,1,2,3,5,5-hexamethylcyclohexane?
(3S)-1,1,2,3,5,5-hexamethylcyclohexane has a molecular weight of 168.32 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,1,2,3,5,5-hexamethylcyclohexane is sourced from PubChem (CID 164756957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).