2-[(3Z)-hepta-1,3-dien-4-yl]-3-methylcyclohexa-1,3-diene

C14H20 — CID 176659804

IUPAC2-[(3Z)-hepta-1,3-dien-4-yl]-3-methylcyclohexa-1,3-diene
SMILESC=C/C=C(/CCC)C1=CCCC=C1C
InChIInChI=1S/C14H20/c1-4-8-13(9-5-2)14-11-7-6-10-12(14)3/h4,8,10-11H,1,5-7,9H2,2-3H3/b13-8-
InChIKeyLRIHBUJVVVEMBA-JYRVWZFOSA-N
MW188.31 g/mol
LogP4.57
Rot. Bonds4

About 2-[(3Z)-hepta-1,3-dien-4-yl]-3-methylcyclohexa-1,3-diene

2-[(3Z)-hepta-1,3-dien-4-yl]-3-methylcyclohexa-1,3-diene (PubChem CID 176659804) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-[(3Z)-hepta-1,3-dien-4-yl]-3-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-[(3Z)-hepta-1,3-dien-4-yl]-3-methylcyclohexa-1,3-diene
PubChem CID176659804
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name2-[(3Z)-hepta-1,3-dien-4-yl]-3-methylcyclohexa-1,3-diene
SMILESC=C/C=C(/CCC)C1=CCCC=C1C
InChIInChI=1S/C14H20/c1-4-8-13(9-5-2)14-11-7-6-10-12(14)3/h4,8,10-11H,1,5-7,9H2,2-3H3/b13-8-
InChIKeyLRIHBUJVVVEMBA-JYRVWZFOSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[(3E,5Z)-5-ethylidene-4-methylocta-1,3-dien-3-yl]-3-methylcyclohexa-1,3-diene
CID 142463304
1-[(3E)-hepta-1,3-dien-4-yl]cyclohexa-1,3-diene
CID 142474101
2-methyl-3-[(E)-oct-3-en-3-yl]cyclohexa-1,3-diene
CID 143644064
1-[(3E)-hepta-1,3-dien-4-yl]cyclohepta-1,3,5-triene
CID 143348775
2-[(3Z)-hepta-1,3-dien-4-yl]-4-methoxy-1-methylbenzene
CID 89339234
2,4-dimethyl-1-(6-methylcyclohexa-1,5-dien-1-yl)heptan-1-one;ethane
CID 142106878
(3Z)-hepta-1,3-dien-4-ol
CID 23128228
2-methyl-3-[(2E,4Z)-7-methylocta-2,4,6-trien-2-yl]cyclohexa-1,3-diene
CID 143221921
ethane;1-[(3E)-hepta-1,3-dien-4-yl]oxy-4-methylbenzene
CID 144511100
2,4-difluoro-1-[(4E,6Z)-nona-4,6,8-trien-4-yl]benzene
CID 143767770
2-buta-2,3-dien-2-yl-1-ethyl-4-[(3Z)-5-methyl-3-(6-methylcyclohexa-1,5-dien-1-yl)hexa-3,5-dienyl]benzene
CID 143183807
6-[(1E,3E)-3-ethenylhexa-1,3,5-trienyl]-3,7-dimethyl-4-pent-1-en-2-yl-1,6,7,8-tetrahydroazulene
CID 144940199

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-hepta-1,3-dien-4-yl]-3-methylcyclohexa-1,3-diene?
The IUPAC name of 2-[(3Z)-hepta-1,3-dien-4-yl]-3-methylcyclohexa-1,3-diene (CID 176659804) is 2-[(3Z)-hepta-1,3-dien-4-yl]-3-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2-[(3Z)-hepta-1,3-dien-4-yl]-3-methylcyclohexa-1,3-diene?
The canonical SMILES for 2-[(3Z)-hepta-1,3-dien-4-yl]-3-methylcyclohexa-1,3-diene is C=C/C=C(/CCC)C1=CCCC=C1C.
What is the InChIKey of 2-[(3Z)-hepta-1,3-dien-4-yl]-3-methylcyclohexa-1,3-diene?
The InChIKey is LRIHBUJVVVEMBA-JYRVWZFOSA-N. The full InChI is InChI=1S/C14H20/c1-4-8-13(9-5-2)14-11-7-6-10-12(14)3/h4,8,10-11H,1,5-7,9H2,2-3H3/b13-8-.
What are the key properties of 2-[(3Z)-hepta-1,3-dien-4-yl]-3-methylcyclohexa-1,3-diene?
2-[(3Z)-hepta-1,3-dien-4-yl]-3-methylcyclohexa-1,3-diene has a molecular weight of 188.31 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-hepta-1,3-dien-4-yl]-3-methylcyclohexa-1,3-diene is sourced from PubChem (CID 176659804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).