(3R,6S)-3-methyl-6-propan-2-ylcyclohexene

C10H18 — CID 6431933

IUPAC(3R,6S)-3-methyl-6-propan-2-ylcyclohexene
SMILESCC(C)[C@H]1C=C[C@H](C)CC1
InChIInChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8-10H,5,7H2,1-3H3/t9-,10-/m0/s1
InChIKeyWHNGPXQYYRWQAS-UWVGGRQHSA-N
MW138.25 g/mol
LogP3.24
Rot. Bonds1

About (3R,6S)-3-methyl-6-propan-2-ylcyclohexene

(3R,6S)-3-methyl-6-propan-2-ylcyclohexene (PubChem CID 6431933) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (3R,6S)-3-methyl-6-propan-2-ylcyclohexene.

Molecular Properties

Compound Name(3R,6S)-3-methyl-6-propan-2-ylcyclohexene
PubChem CID6431933
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(3R,6S)-3-methyl-6-propan-2-ylcyclohexene
SMILESCC(C)[C@H]1C=C[C@H](C)CC1
InChIInChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8-10H,5,7H2,1-3H3/t9-,10-/m0/s1
InChIKeyWHNGPXQYYRWQAS-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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Frequently Asked Questions

What is the IUPAC name of (3R,6S)-3-methyl-6-propan-2-ylcyclohexene?
The IUPAC name of (3R,6S)-3-methyl-6-propan-2-ylcyclohexene (CID 6431933) is (3R,6S)-3-methyl-6-propan-2-ylcyclohexene.
What is the SMILES notation for (3R,6S)-3-methyl-6-propan-2-ylcyclohexene?
The canonical SMILES for (3R,6S)-3-methyl-6-propan-2-ylcyclohexene is CC(C)[C@H]1C=C[C@H](C)CC1.
What is the InChIKey of (3R,6S)-3-methyl-6-propan-2-ylcyclohexene?
The InChIKey is WHNGPXQYYRWQAS-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H18/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8-10H,5,7H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of (3R,6S)-3-methyl-6-propan-2-ylcyclohexene?
(3R,6S)-3-methyl-6-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 (3R,6S)-3-methyl-6-propan-2-ylcyclohexene is sourced from PubChem (CID 6431933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).