2-methyl-3-[(E)-oct-3-en-3-yl]cyclohexa-1,3-diene

C15H24 — CID 143644064

IUPAC2-methyl-3-[(E)-oct-3-en-3-yl]cyclohexa-1,3-diene
SMILESCCCC/C=C(\CC)C1=CCCC=C1C
InChIInChI=1S/C15H24/c1-4-6-7-11-14(5-2)15-12-9-8-10-13(15)3/h10-12H,4-9H2,1-3H3/b14-11+
InChIKeyKHUNYHIRUZVZHK-SDNWHVSQSA-N
MW204.36 g/mol
LogP5.18
Rot. Bonds5

About 2-methyl-3-[(E)-oct-3-en-3-yl]cyclohexa-1,3-diene

2-methyl-3-[(E)-oct-3-en-3-yl]cyclohexa-1,3-diene (PubChem CID 143644064) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 2-methyl-3-[(E)-oct-3-en-3-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-methyl-3-[(E)-oct-3-en-3-yl]cyclohexa-1,3-diene
PubChem CID143644064
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name2-methyl-3-[(E)-oct-3-en-3-yl]cyclohexa-1,3-diene
SMILESCCCC/C=C(\CC)C1=CCCC=C1C
InChIInChI=1S/C15H24/c1-4-6-7-11-14(5-2)15-12-9-8-10-13(15)3/h10-12H,4-9H2,1-3H3/b14-11+
InChIKeyKHUNYHIRUZVZHK-SDNWHVSQSA-N
XLogP5.18
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 ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3Z)-hepta-1,3-dien-4-yl]-3-methylcyclohexa-1,3-diene
CID 176659804
1-(3-chloroprop-1-en-2-yl)-4-[(3Z)-3-(6-methylcyclohexa-1,5-dien-1-yl)octa-1,3-dien-2-yl]naphthalene;heptane
CID 144557532
1,4-bis[(E)-hept-2-en-2-yl]cyclohexa-1,3-diene;ethane
CID 163402513
2-[(3E,5Z)-5-ethylidene-4-methylocta-1,3-dien-3-yl]-3-methylcyclohexa-1,3-diene
CID 142463304
methyl 2-oct-3-en-3-ylbenzoate
CID 175466914
4-[(E)-dec-5-en-5-yl]benzonitrile
CID 102307361
ethyl 4-[(E)-dec-5-en-5-yl]benzoate
CID 102307363
1-[(E)-dec-5-en-5-yl]-4-methoxybenzene
CID 102307360
2,4-dimethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)heptan-1-one;ethane
CID 142106878
ethyl 2-acetylhept-2-enoate
CID 72741409
2-methyldec-2-ene;(E)-3-methyloct-3-ene
CID 158273122
(Z)-3-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-ol
CID 11277074

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(E)-oct-3-en-3-yl]cyclohexa-1,3-diene?
The IUPAC name of 2-methyl-3-[(E)-oct-3-en-3-yl]cyclohexa-1,3-diene (CID 143644064) is 2-methyl-3-[(E)-oct-3-en-3-yl]cyclohexa-1,3-diene.
What is the SMILES notation for 2-methyl-3-[(E)-oct-3-en-3-yl]cyclohexa-1,3-diene?
The canonical SMILES for 2-methyl-3-[(E)-oct-3-en-3-yl]cyclohexa-1,3-diene is CCCC/C=C(\CC)C1=CCCC=C1C.
What is the InChIKey of 2-methyl-3-[(E)-oct-3-en-3-yl]cyclohexa-1,3-diene?
The InChIKey is KHUNYHIRUZVZHK-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H24/c1-4-6-7-11-14(5-2)15-12-9-8-10-13(15)3/h10-12H,4-9H2,1-3H3/b14-11+.
What are the key properties of 2-methyl-3-[(E)-oct-3-en-3-yl]cyclohexa-1,3-diene?
2-methyl-3-[(E)-oct-3-en-3-yl]cyclohexa-1,3-diene has a molecular weight of 204.36 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(E)-oct-3-en-3-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 143644064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).