1,4-bis[(E)-hept-2-en-2-yl]cyclohexa-1,3-diene;ethane

C24H44 — CID 163402513

IUPAC1,4-bis[(E)-hept-2-en-2-yl]cyclohexa-1,3-diene;ethane
SMILESCC.CC.CCCC/C=C(\C)C1=CC=C(/C(C)=C/CCCC)CC1
InChIInChI=1S/C20H32.2C2H6/c1-5-7-9-11-17(3)19-13-15-20(16-14-19)18(4)12-10-8-6-2;2*1-2/h11-13,15H,5-10,14,16H2,1-4H3;2*1-2H3/b17-11+,18-12+;;
InChIKeyMFHFLBRGVYXLCW-SNTCFBDDSA-N
MW332.62 g/mol
LogP8.96
Rot. Bonds8

About 1,4-bis[(E)-hept-2-en-2-yl]cyclohexa-1,3-diene;ethane

1,4-bis[(E)-hept-2-en-2-yl]cyclohexa-1,3-diene;ethane (PubChem CID 163402513) has the molecular formula C24H44 and a molecular weight of 332.62 g/mol. Its IUPAC name is 1,4-bis[(E)-hept-2-en-2-yl]cyclohexa-1,3-diene;ethane.

Molecular Properties

Compound Name1,4-bis[(E)-hept-2-en-2-yl]cyclohexa-1,3-diene;ethane
PubChem CID163402513
Molecular FormulaC24H44
Molecular Weight332.62 g/mol
Exact Mass332.34
IUPAC Name1,4-bis[(E)-hept-2-en-2-yl]cyclohexa-1,3-diene;ethane
SMILESCC.CC.CCCC/C=C(\C)C1=CC=C(/C(C)=C/CCCC)CC1
InChIInChI=1S/C20H32.2C2H6/c1-5-7-9-11-17(3)19-13-15-20(16-14-19)18(4)12-10-8-6-2;2*1-2/h11-13,15H,5-10,14,16H2,1-4H3;2*1-2H3/b17-11+,18-12+;;
InChIKeyMFHFLBRGVYXLCW-SNTCFBDDSA-N
XLogP8.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.62
LogP ≤ 58.96
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

1-but-2-en-2-yl-4-methylcyclohexa-1,3-diene
CID 123312515
lithium hept-2-en-2-olate
CID 134859584
4,5-dimethyldeca-3,5-diene
CID 76540100
2-methyl-3-[(E)-oct-3-en-3-yl]cyclohexa-1,3-diene
CID 143644064
(2R)-1-(4-hept-2-en-2-ylphenyl)propan-2-amine
CID 70492562
(Z)-2-methoxyhept-2-ene
CID 21160203
(Z)-N-methylhept-2-en-2-amine
CID 90448408
1-sulfanyltetradec-1-en-1-ol
CID 175360116
1-oct-2-en-2-ylnaphthalene
CID 71332649
2-[(Z)-hept-2-en-2-yl]-3-methylbenzoic acid
CID 70251961
(2E,4Z)-4-methylnona-2,4-diene
CID 139728618
4-methylnona-2,4-diene
CID 123785331

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(E)-hept-2-en-2-yl]cyclohexa-1,3-diene;ethane?
The IUPAC name of 1,4-bis[(E)-hept-2-en-2-yl]cyclohexa-1,3-diene;ethane (CID 163402513) is 1,4-bis[(E)-hept-2-en-2-yl]cyclohexa-1,3-diene;ethane.
What is the SMILES notation for 1,4-bis[(E)-hept-2-en-2-yl]cyclohexa-1,3-diene;ethane?
The canonical SMILES for 1,4-bis[(E)-hept-2-en-2-yl]cyclohexa-1,3-diene;ethane is CC.CC.CCCC/C=C(\C)C1=CC=C(/C(C)=C/CCCC)CC1.
What is the InChIKey of 1,4-bis[(E)-hept-2-en-2-yl]cyclohexa-1,3-diene;ethane?
The InChIKey is MFHFLBRGVYXLCW-SNTCFBDDSA-N. The full InChI is InChI=1S/C20H32.2C2H6/c1-5-7-9-11-17(3)19-13-15-20(16-14-19)18(4)12-10-8-6-2;2*1-2/h11-13,15H,5-10,14,16H2,1-4H3;2*1-2H3/b17-11+,18-12+;;.
What are the key properties of 1,4-bis[(E)-hept-2-en-2-yl]cyclohexa-1,3-diene;ethane?
1,4-bis[(E)-hept-2-en-2-yl]cyclohexa-1,3-diene;ethane has a molecular weight of 332.62 g/mol, XLogP of 8.96, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(E)-hept-2-en-2-yl]cyclohexa-1,3-diene;ethane is sourced from PubChem (CID 163402513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).