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

C15H24 — CID 527420

IUPAC3-methyl-6-(6-methylhepta-1,5-dien-2-yl)cyclohexene
SMILESC=C(CCC=C(C)C)C1C=CC(C)CC1
InChIInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,13,15H,4-5,7,9,11H2,1-3H3
InChIKeyHLXYVONWCAIOIR-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.89
Rot. Bonds4

About 3-methyl-6-(6-methylhepta-1,5-dien-2-yl)cyclohexene

3-methyl-6-(6-methylhepta-1,5-dien-2-yl)cyclohexene (PubChem CID 527420) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 3-methyl-6-(6-methylhepta-1,5-dien-2-yl)cyclohexene.

Molecular Properties

Compound Name3-methyl-6-(6-methylhepta-1,5-dien-2-yl)cyclohexene
PubChem CID527420
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name3-methyl-6-(6-methylhepta-1,5-dien-2-yl)cyclohexene
SMILESC=C(CCC=C(C)C)C1C=CC(C)CC1
InChIInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,13,15H,4-5,7,9,11H2,1-3H3
InChIKeyHLXYVONWCAIOIR-UHFFFAOYSA-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

(2S,4S,5R)-4-hydroxy-2-methyl-5-(6-methylhepta-1,5-dien-2-yl)cyclohexan-1-one
CID 102285240
methyl-[1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexyl]azanide
CID 163149049
(1S,5Z,9R)-6-methyl-9-(6-methylhepta-1,5-dien-2-yl)-2-methylidenecyclodec-5-en-1-ol
CID 162905191
(3R,4aR,8aR)-5,8a-dimethyl-3-(6-methylhepta-1,5-dien-2-yl)-2,3,4,4a,7,8-hexahydro-1H-naphthalene
CID 71569019
2-bromo-6-methylhepta-1,5-diene
CID 12000295
(2R,3S,4R)-3-(hydroxymethyl)-2-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclopentan-1-one
CID 5279291
1,8-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)spiro[4.5]dec-8-ene
CID 74819495
(2R)-7-methyl-3-methylideneoct-6-en-2-ol
CID 10953746
1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 527060
[(1E,4R,7E,11E)-7,11-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)cyclotetradeca-1,7,11-trien-1-yl]methanol
CID 162947061
[(1S,4Z,8E,12S)-5,9-dimethyl-12-(6-methylhepta-1,5-dien-2-yl)cyclotetradeca-4,8-dien-1-yl]methanol
CID 162989808
7-methyl-3-methylideneocta-1,6-diene
CID 173118544

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(6-methylhepta-1,5-dien-2-yl)cyclohexene?
The IUPAC name of 3-methyl-6-(6-methylhepta-1,5-dien-2-yl)cyclohexene (CID 527420) is 3-methyl-6-(6-methylhepta-1,5-dien-2-yl)cyclohexene.
What is the SMILES notation for 3-methyl-6-(6-methylhepta-1,5-dien-2-yl)cyclohexene?
The canonical SMILES for 3-methyl-6-(6-methylhepta-1,5-dien-2-yl)cyclohexene is C=C(CCC=C(C)C)C1C=CC(C)CC1.
What is the InChIKey of 3-methyl-6-(6-methylhepta-1,5-dien-2-yl)cyclohexene?
The InChIKey is HLXYVONWCAIOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,13,15H,4-5,7,9,11H2,1-3H3.
What are the key properties of 3-methyl-6-(6-methylhepta-1,5-dien-2-yl)cyclohexene?
3-methyl-6-(6-methylhepta-1,5-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 3-methyl-6-(6-methylhepta-1,5-dien-2-yl)cyclohexene is sourced from PubChem (CID 527420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).