5-[(2Z,4Z)-hepta-2,4,6-trienyl]-1-propylcyclohepta-1,3-diene

C17H24 — CID 143332137

IUPAC5-[(2Z,4Z)-hepta-2,4,6-trienyl]-1-propylcyclohepta-1,3-diene
SMILESC=C/C=C\C=C/CC1C=CC=C(CCC)CC1
InChIInChI=1S/C17H24/c1-3-5-6-7-8-11-17-13-9-12-16(10-4-2)14-15-17/h3,5-9,12-13,17H,1,4,10-11,14-15H2,2H3/b6-5-,8-7-
InChIKeyIZUZJUOFDJXQKC-ISTTXYCBSA-N
MW228.38 g/mol
LogP5.37
Rot. Bonds6

About 5-[(2Z,4Z)-hepta-2,4,6-trienyl]-1-propylcyclohepta-1,3-diene

5-[(2Z,4Z)-hepta-2,4,6-trienyl]-1-propylcyclohepta-1,3-diene (PubChem CID 143332137) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 5-[(2Z,4Z)-hepta-2,4,6-trienyl]-1-propylcyclohepta-1,3-diene.

Molecular Properties

Compound Name5-[(2Z,4Z)-hepta-2,4,6-trienyl]-1-propylcyclohepta-1,3-diene
PubChem CID143332137
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name5-[(2Z,4Z)-hepta-2,4,6-trienyl]-1-propylcyclohepta-1,3-diene
SMILESC=C/C=C\C=C/CC1C=CC=C(CCC)CC1
InChIInChI=1S/C17H24/c1-3-5-6-7-8-11-17-13-9-12-16(10-4-2)14-15-17/h3,5-9,12-13,17H,1,4,10-11,14-15H2,2H3/b6-5-,8-7-
InChIKeyIZUZJUOFDJXQKC-ISTTXYCBSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.37
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

Beta-Phellandrene
CID 11142
Germacrene D
CID 5317570
alpha-Camphorene
CID 101750
Axerophthene
CID 5287722
(-)-beta-Phellandrene
CID 443161
Sesquiphellandrene
CID 519764
d-beta-Phellandrene
CID 442484
(-)-Zingiberene
CID 92776
(1E,6E)-1-methyl-5-methylidene-8-(propan-2-yl)cyclodeca-1,6-diene
CID 6436582
beta-Sesquiphellandrene
CID 12315492
p-Mentha-3,8-diene
CID 521851
gamma-Curcumene
CID 12304273

Frequently Asked Questions

What is the IUPAC name of 5-[(2Z,4Z)-hepta-2,4,6-trienyl]-1-propylcyclohepta-1,3-diene?
The IUPAC name of 5-[(2Z,4Z)-hepta-2,4,6-trienyl]-1-propylcyclohepta-1,3-diene (CID 143332137) is 5-[(2Z,4Z)-hepta-2,4,6-trienyl]-1-propylcyclohepta-1,3-diene.
What is the SMILES notation for 5-[(2Z,4Z)-hepta-2,4,6-trienyl]-1-propylcyclohepta-1,3-diene?
The canonical SMILES for 5-[(2Z,4Z)-hepta-2,4,6-trienyl]-1-propylcyclohepta-1,3-diene is C=C/C=C\C=C/CC1C=CC=C(CCC)CC1.
What is the InChIKey of 5-[(2Z,4Z)-hepta-2,4,6-trienyl]-1-propylcyclohepta-1,3-diene?
The InChIKey is IZUZJUOFDJXQKC-ISTTXYCBSA-N. The full InChI is InChI=1S/C17H24/c1-3-5-6-7-8-11-17-13-9-12-16(10-4-2)14-15-17/h3,5-9,12-13,17H,1,4,10-11,14-15H2,2H3/b6-5-,8-7-.
What are the key properties of 5-[(2Z,4Z)-hepta-2,4,6-trienyl]-1-propylcyclohepta-1,3-diene?
5-[(2Z,4Z)-hepta-2,4,6-trienyl]-1-propylcyclohepta-1,3-diene has a molecular weight of 228.38 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z,4Z)-hepta-2,4,6-trienyl]-1-propylcyclohepta-1,3-diene is sourced from PubChem (CID 143332137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).