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

C15H24 — CID 102426665

IUPAC(3R)-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-HUUCEWRRSA-N
MW204.36 g/mol
LogP4.89
Rot. Bonds4

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

(3R)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene (PubChem CID 102426665) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (3R)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene.

Molecular Properties

Compound Name(3R)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
PubChem CID102426665
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(3R)-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-HUUCEWRRSA-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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Related Compounds

(3S)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
CID 11106487
(4S)-4-[(1S)-4-methylidenecyclohex-2-en-1-yl]pentanal
CID 15408871
(6S)-3-methylidene-6-propan-2-ylcyclohexene;(6R)-3-methylidene-6-propan-2-ylcyclohexene
CID 76969298
(1S,5Z,7R)-4,10-dimethylidene-7-propan-2-ylcyclodec-5-en-1-ol
CID 98177931
(1S,2E,4S,7E)-1,7-dimethyl-4-(6-methylhept-5-en-2-yl)cyclodeca-2,7-dien-1-ol
CID 162933798
3-hydroxy-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexan-1-one
CID 11075064
(4S)-7-methylidene-4-propan-2-ylcyclodec-5-en-1-ol
CID 57074679
(3aS,4R,5S,8aR)-3-methyl-5-(6-methylhept-5-en-2-yl)-8-methylidene-3a,4,5,6,7,8a-hexahydro-1H-azulen-4-ol
CID 23426378
(1E,5Z,10S)-3,7-dimethylidene-10-propan-2-ylcyclodeca-1,5-diene
CID 165345238
(1R,3aS,4R,5S,8aR)-3-methyl-5-[(2R)-6-methylhept-5-en-2-yl]-8-methylidene-3a,4,5,6,7,8a-hexahydro-1H-azulene-1,4-diol
CID 101316750
3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,4-diene
CID 162883102
4-(5-oxohexan-2-yl)cyclohex-2-en-1-one
CID 123181960

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene?
The IUPAC name of (3R)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene (CID 102426665) is (3R)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene.
What is the SMILES notation for (3R)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene?
The canonical SMILES for (3R)-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 (3R)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene?
The InChIKey is PHWISBHSBNDZDX-HUUCEWRRSA-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 (3R)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene?
(3R)-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 (3R)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene is sourced from PubChem (CID 102426665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).