(4S)-4-methyl-1-[(3E)-6-methylhepta-1,3-dien-2-yl]cyclohexene

C15H24 — CID 162973367

IUPAC(4S)-4-methyl-1-[(3E)-6-methylhepta-1,3-dien-2-yl]cyclohexene
SMILESC=C(/C=C/CC(C)C)C1=CC[C@@H](C)CC1
InChIInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h5,7,10,12-13H,4,6,8-9,11H2,1-3H3/b7-5+/t13-/m1/s1
InChIKeyDTVZEUZAHZTLJV-VUDGCMKMSA-N
MW204.36 g/mol
LogP4.89
Rot. Bonds4

About (4S)-4-methyl-1-[(3E)-6-methylhepta-1,3-dien-2-yl]cyclohexene

(4S)-4-methyl-1-[(3E)-6-methylhepta-1,3-dien-2-yl]cyclohexene (PubChem CID 162973367) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (4S)-4-methyl-1-[(3E)-6-methylhepta-1,3-dien-2-yl]cyclohexene.

Molecular Properties

Compound Name(4S)-4-methyl-1-[(3E)-6-methylhepta-1,3-dien-2-yl]cyclohexene
PubChem CID162973367
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(4S)-4-methyl-1-[(3E)-6-methylhepta-1,3-dien-2-yl]cyclohexene
SMILESC=C(/C=C/CC(C)C)C1=CC[C@@H](C)CC1
InChIInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h5,7,10,12-13H,4,6,8-9,11H2,1-3H3/b7-5+/t13-/m1/s1
InChIKeyDTVZEUZAHZTLJV-VUDGCMKMSA-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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-1-[(3E)-6-methylhepta-1,3-dien-2-yl]cyclohexene?
The IUPAC name of (4S)-4-methyl-1-[(3E)-6-methylhepta-1,3-dien-2-yl]cyclohexene (CID 162973367) is (4S)-4-methyl-1-[(3E)-6-methylhepta-1,3-dien-2-yl]cyclohexene.
What is the SMILES notation for (4S)-4-methyl-1-[(3E)-6-methylhepta-1,3-dien-2-yl]cyclohexene?
The canonical SMILES for (4S)-4-methyl-1-[(3E)-6-methylhepta-1,3-dien-2-yl]cyclohexene is C=C(/C=C/CC(C)C)C1=CC[C@@H](C)CC1.
What is the InChIKey of (4S)-4-methyl-1-[(3E)-6-methylhepta-1,3-dien-2-yl]cyclohexene?
The InChIKey is DTVZEUZAHZTLJV-VUDGCMKMSA-N. The full InChI is InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h5,7,10,12-13H,4,6,8-9,11H2,1-3H3/b7-5+/t13-/m1/s1.
What are the key properties of (4S)-4-methyl-1-[(3E)-6-methylhepta-1,3-dien-2-yl]cyclohexene?
(4S)-4-methyl-1-[(3E)-6-methylhepta-1,3-dien-2-yl]cyclohexene 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 (4S)-4-methyl-1-[(3E)-6-methylhepta-1,3-dien-2-yl]cyclohexene is sourced from PubChem (CID 162973367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).