2-hepta-2,4-dien-4-yl-1-methoxycyclohexa-1,3-diene

C14H20O — CID 123982302

IUPAC2-hepta-2,4-dien-4-yl-1-methoxycyclohexa-1,3-diene
SMILESCC=CC(=CCC)C1=C(OC)CCC=C1
InChIInChI=1S/C14H20O/c1-4-8-12(9-5-2)13-10-6-7-11-14(13)15-3/h4,6,8-10H,5,7,11H2,1-3H3
InChIKeyCNXWAJHKZNOWEQ-UHFFFAOYSA-N
MW204.31 g/mol
LogP4.15
Rot. Bonds4

About 2-hepta-2,4-dien-4-yl-1-methoxycyclohexa-1,3-diene

2-hepta-2,4-dien-4-yl-1-methoxycyclohexa-1,3-diene (PubChem CID 123982302) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-hepta-2,4-dien-4-yl-1-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name2-hepta-2,4-dien-4-yl-1-methoxycyclohexa-1,3-diene
PubChem CID123982302
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-hepta-2,4-dien-4-yl-1-methoxycyclohexa-1,3-diene
SMILESCC=CC(=CCC)C1=C(OC)CCC=C1
InChIInChI=1S/C14H20O/c1-4-8-12(9-5-2)13-10-6-7-11-14(13)15-3/h4,6,8-10H,5,7,11H2,1-3H3
InChIKeyCNXWAJHKZNOWEQ-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexadiene, 1-methoxy-
CID 75098
7-Methoxy-3-methylideneocta-1,6-diene
CID 162915241
2,5-Dihydro-3-methylanisole
CID 83667
1-Methoxy-2-methylcyclohexa-1,4-diene
CID 3017955
Carbon monoxide;iron;1-methoxycyclohexa-1,3-diene
CID 11054044
1,3-Cyclohexadiene, 1-methoxy-4-methyl-
CID 10986221
1,3-Cyclohexadiene, 1-methoxy-3-methyl-
CID 12239936
4-Methoxy-1,2-dimethylcyclohexa-1,4-diene
CID 12614030
4-Methoxy-1,2-dimethylcyclohexa-1,3-diene
CID 13087975
3,3-Dimethylanisol
CID 68229763
1-Methoxy-3-methylenecyclohexene
CID 137710
1-Methoxy-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 18671954

Frequently Asked Questions

What is the IUPAC name of 2-hepta-2,4-dien-4-yl-1-methoxycyclohexa-1,3-diene?
The IUPAC name of 2-hepta-2,4-dien-4-yl-1-methoxycyclohexa-1,3-diene (CID 123982302) is 2-hepta-2,4-dien-4-yl-1-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 2-hepta-2,4-dien-4-yl-1-methoxycyclohexa-1,3-diene?
The canonical SMILES for 2-hepta-2,4-dien-4-yl-1-methoxycyclohexa-1,3-diene is CC=CC(=CCC)C1=C(OC)CCC=C1.
What is the InChIKey of 2-hepta-2,4-dien-4-yl-1-methoxycyclohexa-1,3-diene?
The InChIKey is CNXWAJHKZNOWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-4-8-12(9-5-2)13-10-6-7-11-14(13)15-3/h4,6,8-10H,5,7,11H2,1-3H3.
What are the key properties of 2-hepta-2,4-dien-4-yl-1-methoxycyclohexa-1,3-diene?
2-hepta-2,4-dien-4-yl-1-methoxycyclohexa-1,3-diene has a molecular weight of 204.31 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hepta-2,4-dien-4-yl-1-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 123982302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).