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

C15H24 — CID 162883102

IUPAC3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,4-diene
SMILESCC(C)=CCC[C@H](C)C1C=CC(C)C=C1
InChIInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,13-15H,5,7H2,1-4H3/t13?,14-,15?/m0/s1
InChIKeyOFTGWWXCYHSXPO-SLTAFYQDSA-N
MW204.36 g/mol
LogP4.75
Rot. Bonds4

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

3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,4-diene (PubChem CID 162883102) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,4-diene.

Molecular Properties

Compound Name3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,4-diene
PubChem CID162883102
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,4-diene
SMILESCC(C)=CCC[C@H](C)C1C=CC(C)C=C1
InChIInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,13-15H,5,7H2,1-4H3/t13?,14-,15?/m0/s1
InChIKeyOFTGWWXCYHSXPO-SLTAFYQDSA-N
XLogP4.75
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 ≤ 54.75
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

(1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol
CID 57387115
(3R)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
CID 102426665
(3S)-3-[(2R)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
CID 11106487
(6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene
CID 131736485
(6S)-8-bromo-2,6-dimethyloct-2-ene
CID 10900106
3-hydroxy-4-[(2S)-6-methylhept-5-en-2-yl]cyclohexan-1-one
CID 11075064
(2S,3S)-2-chloro-3,7-dimethyloct-6-en-1-ol
CID 124706434
2,6-dimethylhept-5-enal
CID 158364508
(2R)-2,6-dimethylhept-5-en-1-amine
CID 163211564
methane;1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene
CID 160825618
(4R,7R,8R,9S,12R)-9-[(2R)-6-methylhept-5-en-2-yl]-3-oxatricyclo[5.4.1.04,12]dodeca-1(11),5-dien-8-ol
CID 101316751
2-(1-hydroxyethyl)-6-methylhept-5-enoic acid
CID 54182717

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,4-diene?
The IUPAC name of 3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,4-diene (CID 162883102) is 3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,4-diene.
What is the SMILES notation for 3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,4-diene?
The canonical SMILES for 3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,4-diene is CC(C)=CCC[C@H](C)C1C=CC(C)C=C1.
What is the InChIKey of 3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,4-diene?
The InChIKey is OFTGWWXCYHSXPO-SLTAFYQDSA-N. The full InChI is InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,13-15H,5,7H2,1-4H3/t13?,14-,15?/m0/s1.
What are the key properties of 3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,4-diene?
3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,4-diene has a molecular weight of 204.36 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,4-diene is sourced from PubChem (CID 162883102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).