1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene

C15H24 — CID 71404158

IUPAC1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene
SMILESCC(C)=CCC[C@H](C)C1=CC=C(C)CC1
InChIInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14H,5,7,9,11H2,1-4H3/t14-/m0/s1
InChIKeyNGIVKZGKEPRIGG-AWEZNQCLSA-N
MW204.36 g/mol
LogP5.04
Rot. Bonds4

About 1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene

1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene (PubChem CID 71404158) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene
PubChem CID71404158
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene
SMILESCC(C)=CCC[C@H](C)C1=CC=C(C)CC1
InChIInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14H,5,7,9,11H2,1-4H3/t14-/m0/s1
InChIKeyNGIVKZGKEPRIGG-AWEZNQCLSA-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'}

Analyze 1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene?
The IUPAC name of 1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene (CID 71404158) is 1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene.
What is the SMILES notation for 1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene?
The canonical SMILES for 1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene is CC(C)=CCC[C@H](C)C1=CC=C(C)CC1.
What is the InChIKey of 1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene?
The InChIKey is NGIVKZGKEPRIGG-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14H,5,7,9,11H2,1-4H3/t14-/m0/s1.
What are the key properties of 1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene?
1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene 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 1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 71404158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).