(6S)-1-ethenyl-6-methyl-6-(4-methylpent-4-enyl)cyclohexene

C15H24 — CID 11458376

IUPAC(6S)-1-ethenyl-6-methyl-6-(4-methylpent-4-enyl)cyclohexene
SMILESC=CC1=CCCC[C@@]1(C)CCCC(=C)C
InChIInChI=1S/C15H24/c1-5-14-10-6-7-11-15(14,4)12-8-9-13(2)3/h5,10H,1-2,6-9,11-12H2,3-4H3/t15-/m0/s1
InChIKeyIVAOTBXXXUFSSE-HNNXBMFYSA-N
MW204.36 g/mol
LogP5.04
Rot. Bonds5

About (6S)-1-ethenyl-6-methyl-6-(4-methylpent-4-enyl)cyclohexene

(6S)-1-ethenyl-6-methyl-6-(4-methylpent-4-enyl)cyclohexene (PubChem CID 11458376) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (6S)-1-ethenyl-6-methyl-6-(4-methylpent-4-enyl)cyclohexene.

Molecular Properties

Compound Name(6S)-1-ethenyl-6-methyl-6-(4-methylpent-4-enyl)cyclohexene
PubChem CID11458376
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(6S)-1-ethenyl-6-methyl-6-(4-methylpent-4-enyl)cyclohexene
SMILESC=CC1=CCCC[C@@]1(C)CCCC(=C)C
InChIInChI=1S/C15H24/c1-5-14-10-6-7-11-15(14,4)12-8-9-13(2)3/h5,10H,1-2,6-9,11-12H2,3-4H3/t15-/m0/s1
InChIKeyIVAOTBXXXUFSSE-HNNXBMFYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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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Related Compounds

2-[(1S,2S,5R,8aR)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]ethanol
CID 10566454
(S)-[(1S,2R,5S,8aR)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-(furan-3-yl)methanol
CID 102594190
3-[(E)-2-[(1R,2R,5S,8aS)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]ethenyl]-2-hydroxy-2H-furan-5-one
CID 11014488
methyl 1-(3-methylbut-3-enyl)-2-(trifluoromethylsulfonyloxy)cyclohex-2-ene-1-carboxylate
CID 101415145
3-[(1R)-2-[(1R,2R,5S,8aS)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]-1-hydroxyethyl]-2-hydroxy-2H-furan-5-one
CID 10873122
5-(4-methylpent-4-enyl)-3,4,7,8-tetrahydro-2H-oxocine
CID 123614824
(2R)-3-[2-[(1R,2R,5S,8aS)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]acetyl]-2-hydroxy-2H-furan-5-one
CID 54587115
(6Z)-7-ethenyl-8-methyl-8-phenyl-2,3,4,5-tetrahydrooxocine
CID 122395889
tert-butyl-dimethyl-[1-[(6S)-6-methyl-6-(3-phenylmethoxypropyl)cyclohexen-1-yl]ethenoxy]silane
CID 11269593
2,14-dimethylpentadeca-1,14-diene
CID 123962057
2,7-dimethylocta-1,7-diene;hydron
CID 174323451
1,7-dimethyl-7-(4-methylpent-4-enyl)tricyclo[2.2.1.02,6]heptane
CID 57227275

Frequently Asked Questions

What is the IUPAC name of (6S)-1-ethenyl-6-methyl-6-(4-methylpent-4-enyl)cyclohexene?
The IUPAC name of (6S)-1-ethenyl-6-methyl-6-(4-methylpent-4-enyl)cyclohexene (CID 11458376) is (6S)-1-ethenyl-6-methyl-6-(4-methylpent-4-enyl)cyclohexene.
What is the SMILES notation for (6S)-1-ethenyl-6-methyl-6-(4-methylpent-4-enyl)cyclohexene?
The canonical SMILES for (6S)-1-ethenyl-6-methyl-6-(4-methylpent-4-enyl)cyclohexene is C=CC1=CCCC[C@@]1(C)CCCC(=C)C.
What is the InChIKey of (6S)-1-ethenyl-6-methyl-6-(4-methylpent-4-enyl)cyclohexene?
The InChIKey is IVAOTBXXXUFSSE-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24/c1-5-14-10-6-7-11-15(14,4)12-8-9-13(2)3/h5,10H,1-2,6-9,11-12H2,3-4H3/t15-/m0/s1.
What are the key properties of (6S)-1-ethenyl-6-methyl-6-(4-methylpent-4-enyl)cyclohexene?
(6S)-1-ethenyl-6-methyl-6-(4-methylpent-4-enyl)cyclohexene has a molecular weight of 204.36 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-ethenyl-6-methyl-6-(4-methylpent-4-enyl)cyclohexene is sourced from PubChem (CID 11458376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).