[(3S)-5-methylhexan-3-yl]cyclopentane

C12H24 — CID 152864730

IUPAC[(3S)-5-methylhexan-3-yl]cyclopentane
SMILESCC[C@@H](CC(C)C)C1CCCC1
InChIInChI=1S/C12H24/c1-4-11(9-10(2)3)12-7-5-6-8-12/h10-12H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyGCKVLMJJTRYHOT-NSHDSACASA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds4

About [(3S)-5-methylhexan-3-yl]cyclopentane

[(3S)-5-methylhexan-3-yl]cyclopentane (PubChem CID 152864730) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is [(3S)-5-methylhexan-3-yl]cyclopentane.

Molecular Properties

Compound Name[(3S)-5-methylhexan-3-yl]cyclopentane
PubChem CID152864730
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name[(3S)-5-methylhexan-3-yl]cyclopentane
SMILESCC[C@@H](CC(C)C)C1CCCC1
InChIInChI=1S/C12H24/c1-4-11(9-10(2)3)12-7-5-6-8-12/h10-12H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyGCKVLMJJTRYHOT-NSHDSACASA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-methylhexan-3-ylcyclohexane;prop-1-ene
CID 143963262
4-cyclohexylhexan-2-ol
CID 11830109
1-ethyl-4-(5-methylhexan-3-yl)cyclohexane
CID 123334269
[(4R)-2-methylheptan-4-yl]cyclohexane
CID 140562614
4-(5-methylhexan-3-yl)cyclopentene
CID 123960075
1-cyclopropylbutan-2-ylcyclopentane
CID 142060963
(2S)-2-cyclooctylbutan-1-ol
CID 122210665
N-(2-cyclohexyl-4-methylpentyl)cyclopropanamine
CID 82931479
cyclopentane;4-cyclopentyl-N,N,2-trimethylhexanamide;iron
CID 162289265
2-amino-4-cyclohexylhexanoic acid
CID 19433409
pentan-3-ylcyclopropane
CID 19042038
5-cyclohexylheptan-2-ol
CID 89364025

Frequently Asked Questions

What is the IUPAC name of [(3S)-5-methylhexan-3-yl]cyclopentane?
The IUPAC name of [(3S)-5-methylhexan-3-yl]cyclopentane (CID 152864730) is [(3S)-5-methylhexan-3-yl]cyclopentane.
What is the SMILES notation for [(3S)-5-methylhexan-3-yl]cyclopentane?
The canonical SMILES for [(3S)-5-methylhexan-3-yl]cyclopentane is CC[C@@H](CC(C)C)C1CCCC1.
What is the InChIKey of [(3S)-5-methylhexan-3-yl]cyclopentane?
The InChIKey is GCKVLMJJTRYHOT-NSHDSACASA-N. The full InChI is InChI=1S/C12H24/c1-4-11(9-10(2)3)12-7-5-6-8-12/h10-12H,4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of [(3S)-5-methylhexan-3-yl]cyclopentane?
[(3S)-5-methylhexan-3-yl]cyclopentane has a molecular weight of 168.32 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-5-methylhexan-3-yl]cyclopentane is sourced from PubChem (CID 152864730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).