(4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene

C15H24 — CID 10104370

IUPAC(4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene
SMILESC=C(CCC=C(C)C)[C@@H]1CC=C(C)CC1
InChIInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m1/s1
InChIKeyXZRVRYFILCSYSP-OAHLLOKOSA-N
MW204.36 g/mol
LogP5.04
Rot. Bonds4

About (4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene

(4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene (PubChem CID 10104370) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene.

Molecular Properties

Compound Name(4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene
PubChem CID10104370
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene
SMILESC=C(CCC=C(C)C)[C@@H]1CC=C(C)CC1
InChIInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m1/s1
InChIKeyXZRVRYFILCSYSP-OAHLLOKOSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.04
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 (4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene?
The IUPAC name of (4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene (CID 10104370) is (4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene.
What is the SMILES notation for (4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene?
The canonical SMILES for (4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene is C=C(CCC=C(C)C)[C@@H]1CC=C(C)CC1.
What is the InChIKey of (4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene?
The InChIKey is XZRVRYFILCSYSP-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m1/s1.
What are the key properties of (4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene?
(4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene has a molecular weight of 204.36 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene is sourced from PubChem (CID 10104370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).