5-[(E)-but-1-enyl]-1,2,3,4,5-pentapropylcyclopenta-1,3-diene

C24H42 — CID 10246100

IUPAC5-[(E)-but-1-enyl]-1,2,3,4,5-pentapropylcyclopenta-1,3-diene
SMILESCC/C=C/C1(CCC)C(CCC)=C(CCC)C(CCC)=C1CCC
InChIInChI=1S/C24H42/c1-7-13-19-24(18-12-6)22(16-10-4)20(14-8-2)21(15-9-3)23(24)17-11-5/h13,19H,7-12,14-18H2,1-6H3/b19-13+
InChIKeyHTNSLHFIEOFYGU-CPNJWEJPSA-N
MW330.60 g/mol
LogP8.55
Rot. Bonds12

About 5-[(E)-but-1-enyl]-1,2,3,4,5-pentapropylcyclopenta-1,3-diene

5-[(E)-but-1-enyl]-1,2,3,4,5-pentapropylcyclopenta-1,3-diene (PubChem CID 10246100) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is 5-[(E)-but-1-enyl]-1,2,3,4,5-pentapropylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-[(E)-but-1-enyl]-1,2,3,4,5-pentapropylcyclopenta-1,3-diene
PubChem CID10246100
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name5-[(E)-but-1-enyl]-1,2,3,4,5-pentapropylcyclopenta-1,3-diene
SMILESCC/C=C/C1(CCC)C(CCC)=C(CCC)C(CCC)=C1CCC
InChIInChI=1S/C24H42/c1-7-13-19-24(18-12-6)22(16-10-4)20(14-8-2)21(15-9-3)23(24)17-11-5/h13,19H,7-12,14-18H2,1-6H3/b19-13+
InChIKeyHTNSLHFIEOFYGU-CPNJWEJPSA-N
XLogP8.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-(1,2,3,4,5-pentapropylcyclopenta-2,4-dien-1-yl)silane
CID 156896873
1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene
CID 67330757
3,3-dichloro-1,2-dipropylcyclopropene
CID 134877644
(1Z,4Z,6S,8R)-1,2,3,3,4,5,6,7,8-nonapropylcycloocta-1,4-diene
CID 173419999
3a,4,5,6-tetrapropyl-1,7a-dihydroindene
CID 102576699
9,9-bis(but-1-enyl)fluorene;methane;propane
CID 162270307
hex-3-ene;hydrochloride
CID 159012047
hex-3-ene;sulfane
CID 174453265
2,3-dibutyl-4,5-dipropylcyclopenta-2,4-dien-1-one
CID 86058900
1-[(E)-but-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 22991602
5-cyclopenta-2,4-dien-1-yl-1,2,4,5-tetrapropyl-3-(1,2,3-tripropylcyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene
CID 141122196
magnesium;(Z)-hex-3-ene;dibromide
CID 175085917

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-1-enyl]-1,2,3,4,5-pentapropylcyclopenta-1,3-diene?
The IUPAC name of 5-[(E)-but-1-enyl]-1,2,3,4,5-pentapropylcyclopenta-1,3-diene (CID 10246100) is 5-[(E)-but-1-enyl]-1,2,3,4,5-pentapropylcyclopenta-1,3-diene.
What is the SMILES notation for 5-[(E)-but-1-enyl]-1,2,3,4,5-pentapropylcyclopenta-1,3-diene?
The canonical SMILES for 5-[(E)-but-1-enyl]-1,2,3,4,5-pentapropylcyclopenta-1,3-diene is CC/C=C/C1(CCC)C(CCC)=C(CCC)C(CCC)=C1CCC.
What is the InChIKey of 5-[(E)-but-1-enyl]-1,2,3,4,5-pentapropylcyclopenta-1,3-diene?
The InChIKey is HTNSLHFIEOFYGU-CPNJWEJPSA-N. The full InChI is InChI=1S/C24H42/c1-7-13-19-24(18-12-6)22(16-10-4)20(14-8-2)21(15-9-3)23(24)17-11-5/h13,19H,7-12,14-18H2,1-6H3/b19-13+.
What are the key properties of 5-[(E)-but-1-enyl]-1,2,3,4,5-pentapropylcyclopenta-1,3-diene?
5-[(E)-but-1-enyl]-1,2,3,4,5-pentapropylcyclopenta-1,3-diene has a molecular weight of 330.60 g/mol, XLogP of 8.55, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-1-enyl]-1,2,3,4,5-pentapropylcyclopenta-1,3-diene is sourced from PubChem (CID 10246100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).