5-butyl-1-ethenylcyclohexa-1,3-diene

C12H18 — CID 14764390

IUPAC5-butyl-1-ethenylcyclohexa-1,3-diene
SMILESC=CC1=CC=CC(CCCC)C1
InChIInChI=1S/C12H18/c1-3-5-7-12-9-6-8-11(4-2)10-12/h4,6,8-9,12H,2-3,5,7,10H2,1H3
InChIKeyNVUARUYKDBEOCD-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.87
Rot. Bonds4

About 5-butyl-1-ethenylcyclohexa-1,3-diene

5-butyl-1-ethenylcyclohexa-1,3-diene (PubChem CID 14764390) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 5-butyl-1-ethenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-butyl-1-ethenylcyclohexa-1,3-diene
PubChem CID14764390
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name5-butyl-1-ethenylcyclohexa-1,3-diene
SMILESC=CC1=CC=CC(CCCC)C1
InChIInChI=1S/C12H18/c1-3-5-7-12-9-6-8-11(4-2)10-12/h4,6,8-9,12H,2-3,5,7,10H2,1H3
InChIKeyNVUARUYKDBEOCD-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-propylcyclohexa-1,3-dien-1-ol
CID 142071341
3-[5-(2-propylpent-4-enoxy)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 130373360
3-[5-[6-(4-butylphenyl)hexyl]cyclohexa-1,3-dien-1-yl]propan-1-ol
CID 143599644
5-butyl-2-methylcyclohexa-1,3-diene
CID 12596747
5-butylcyclohexa-2,4-dien-1-amine
CID 146424387
5-(3-aminopropyl)cyclohexa-1,3-dien-1-ol
CID 130282839
2,4-dibutylcyclopent-2-en-1-one
CID 15110256
2-[(5S,6R)-6-butyl-5-prop-2-enylcyclohexa-1,3-dien-1-yl]-4,4-dimethyl-5H-1,3-oxazole
CID 14938253
1,6-dihexyl-2-methylcyclohepta-1,4-diene
CID 101427579
5-methyl-2-[2-methylidene-5-(5-propylcyclohexa-2,4-dien-1-yl)pentyl]cyclohexa-1,3-diene
CID 142295223
5-ethylcyclohexa-1,3-dien-1-ol
CID 154505680
4-butylcyclopent-2-en-1-ol
CID 13414982

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-ethenylcyclohexa-1,3-diene?
The IUPAC name of 5-butyl-1-ethenylcyclohexa-1,3-diene (CID 14764390) is 5-butyl-1-ethenylcyclohexa-1,3-diene.
What is the SMILES notation for 5-butyl-1-ethenylcyclohexa-1,3-diene?
The canonical SMILES for 5-butyl-1-ethenylcyclohexa-1,3-diene is C=CC1=CC=CC(CCCC)C1.
What is the InChIKey of 5-butyl-1-ethenylcyclohexa-1,3-diene?
The InChIKey is NVUARUYKDBEOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-3-5-7-12-9-6-8-11(4-2)10-12/h4,6,8-9,12H,2-3,5,7,10H2,1H3.
What are the key properties of 5-butyl-1-ethenylcyclohexa-1,3-diene?
5-butyl-1-ethenylcyclohexa-1,3-diene has a molecular weight of 162.28 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-ethenylcyclohexa-1,3-diene is sourced from PubChem (CID 14764390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).