(3S)-3-methyl-6-propan-2-ylidenecyclohexene

C10H16 — CID 71385764

IUPAC(3S)-3-methyl-6-propan-2-ylidenecyclohexene
SMILESCC(C)=C1C=C[C@@H](C)CC1
InChIInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,9H,5,7H2,1-3H3/t9-/m1/s1
InChIKeyCIPXOBMYVWRNLL-SECBINFHSA-N
MW136.24 g/mol
LogP3.31
Rot. Bonds

About (3S)-3-methyl-6-propan-2-ylidenecyclohexene

(3S)-3-methyl-6-propan-2-ylidenecyclohexene (PubChem CID 71385764) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (3S)-3-methyl-6-propan-2-ylidenecyclohexene.

Molecular Properties

Compound Name(3S)-3-methyl-6-propan-2-ylidenecyclohexene
PubChem CID71385764
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(3S)-3-methyl-6-propan-2-ylidenecyclohexene
SMILESCC(C)=C1C=C[C@@H](C)CC1
InChIInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,9H,5,7H2,1-3H3/t9-/m1/s1
InChIKeyCIPXOBMYVWRNLL-SECBINFHSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-6-propan-2-ylidenecyclohexene?
The IUPAC name of (3S)-3-methyl-6-propan-2-ylidenecyclohexene (CID 71385764) is (3S)-3-methyl-6-propan-2-ylidenecyclohexene.
What is the SMILES notation for (3S)-3-methyl-6-propan-2-ylidenecyclohexene?
The canonical SMILES for (3S)-3-methyl-6-propan-2-ylidenecyclohexene is CC(C)=C1C=C[C@@H](C)CC1.
What is the InChIKey of (3S)-3-methyl-6-propan-2-ylidenecyclohexene?
The InChIKey is CIPXOBMYVWRNLL-SECBINFHSA-N. The full InChI is InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,9H,5,7H2,1-3H3/t9-/m1/s1.
What are the key properties of (3S)-3-methyl-6-propan-2-ylidenecyclohexene?
(3S)-3-methyl-6-propan-2-ylidenecyclohexene has a molecular weight of 136.24 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-6-propan-2-ylidenecyclohexene is sourced from PubChem (CID 71385764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).