(3S,4S)-4-methyl-3-propan-2-ylcyclohexene

C10H18 — CID 54375477

IUPAC(3S,4S)-4-methyl-3-propan-2-ylcyclohexene
SMILESCC(C)[C@@H]1C=CCC[C@@H]1C
InChIInChI=1S/C10H18/c1-8(2)10-7-5-4-6-9(10)3/h5,7-10H,4,6H2,1-3H3/t9-,10-/m0/s1
InChIKeyUWESFCGDVGYVIZ-UWVGGRQHSA-N
MW138.25 g/mol
LogP3.24
Rot. Bonds1

About (3S,4S)-4-methyl-3-propan-2-ylcyclohexene

(3S,4S)-4-methyl-3-propan-2-ylcyclohexene (PubChem CID 54375477) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (3S,4S)-4-methyl-3-propan-2-ylcyclohexene.

Molecular Properties

Compound Name(3S,4S)-4-methyl-3-propan-2-ylcyclohexene
PubChem CID54375477
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(3S,4S)-4-methyl-3-propan-2-ylcyclohexene
SMILESCC(C)[C@@H]1C=CCC[C@@H]1C
InChIInChI=1S/C10H18/c1-8(2)10-7-5-4-6-9(10)3/h5,7-10H,4,6H2,1-3H3/t9-,10-/m0/s1
InChIKeyUWESFCGDVGYVIZ-UWVGGRQHSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-propan-2-ylcyclohex-3-en-1-yl)propan-2-ol
CID 126624394
(3S,4R)-3-methoxy-4-propan-2-ylcyclohexene
CID 134897656
(3S)-3-methylcyclopentene
CID 11018803
4-methyl-3-(4-methylpentyl)cyclohexene
CID 142386798
4-methyl-3-methylsulfinylcyclohexene
CID 118892382
(1R,2R)-2-propan-2-ylcyclopent-3-en-1-ol
CID 58878675
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
3-propan-2-ylsulfanylcyclopentene
CID 59881933
3-methyl-4-propan-2-ylcyclohepta-1,5-dien-1-amine
CID 170370508
(1Z,4Z)-3-propan-2-ylcycloocta-1,4-diene
CID 20800792
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
1,3-dimethyl-2,3,3a,4,5,7a-hexahydro-1H-indene
CID 23572815

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-3-propan-2-ylcyclohexene?
The IUPAC name of (3S,4S)-4-methyl-3-propan-2-ylcyclohexene (CID 54375477) is (3S,4S)-4-methyl-3-propan-2-ylcyclohexene.
What is the SMILES notation for (3S,4S)-4-methyl-3-propan-2-ylcyclohexene?
The canonical SMILES for (3S,4S)-4-methyl-3-propan-2-ylcyclohexene is CC(C)[C@@H]1C=CCC[C@@H]1C.
What is the InChIKey of (3S,4S)-4-methyl-3-propan-2-ylcyclohexene?
The InChIKey is UWESFCGDVGYVIZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H18/c1-8(2)10-7-5-4-6-9(10)3/h5,7-10H,4,6H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of (3S,4S)-4-methyl-3-propan-2-ylcyclohexene?
(3S,4S)-4-methyl-3-propan-2-ylcyclohexene has a molecular weight of 138.25 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-3-propan-2-ylcyclohexene is sourced from PubChem (CID 54375477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).