(3S)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene

C15H24 — CID 11106487

IUPAC(3S)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
SMILESC=C1C=C[C@H]([C@H](C)CCC=C(C)C)CC1
InChIInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3/t14-,15+/m1/s1
InChIKeyPHWISBHSBNDZDX-CABCVRRESA-N
MW204.36 g/mol
LogP4.89
Rot. Bonds4

About (3S)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene

(3S)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene (PubChem CID 11106487) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (3S)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene.

Molecular Properties

Compound Name(3S)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
PubChem CID11106487
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(3S)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
SMILESC=C1C=C[C@H]([C@H](C)CCC=C(C)C)CC1
InChIInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3/t14-,15+/m1/s1
InChIKeyPHWISBHSBNDZDX-CABCVRRESA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.89
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 (3S)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene?
The IUPAC name of (3S)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene (CID 11106487) is (3S)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene.
What is the SMILES notation for (3S)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene?
The canonical SMILES for (3S)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene is C=C1C=C[C@H]([C@H](C)CCC=C(C)C)CC1.
What is the InChIKey of (3S)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene?
The InChIKey is PHWISBHSBNDZDX-CABCVRRESA-N. The full InChI is InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3/t14-,15+/m1/s1.
What are the key properties of (3S)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene?
(3S)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene has a molecular weight of 204.36 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene is sourced from PubChem (CID 11106487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).