4,4,5-tripropylpentadec-6-ene

C24H48 — CID 173312730

IUPAC4,4,5-tripropylpentadec-6-ene
SMILESCCCCCCCCC=CC(CCC)C(CCC)(CCC)CCC
InChIInChI=1S/C24H48/c1-6-11-12-13-14-15-16-17-19-23(18-7-2)24(20-8-3,21-9-4)22-10-5/h17,19,23H,6-16,18,20-22H2,1-5H3
InChIKeyZVPIBINZOOECJX-UHFFFAOYSA-N
MW336.65 g/mol
LogP9.10
Rot. Bonds17

About 4,4,5-tripropylpentadec-6-ene

4,4,5-tripropylpentadec-6-ene (PubChem CID 173312730) has the molecular formula C24H48 and a molecular weight of 336.65 g/mol. Its IUPAC name is 4,4,5-tripropylpentadec-6-ene.

Molecular Properties

Compound Name4,4,5-tripropylpentadec-6-ene
PubChem CID173312730
Molecular FormulaC24H48
Molecular Weight336.65 g/mol
Exact Mass336.38
IUPAC Name4,4,5-tripropylpentadec-6-ene
SMILESCCCCCCCCC=CC(CCC)C(CCC)(CCC)CCC
InChIInChI=1S/C24H48/c1-6-11-12-13-14-15-16-17-19-23(18-7-2)24(20-8-3,21-9-4)22-10-5/h17,19,23H,6-16,18,20-22H2,1-5H3
InChIKeyZVPIBINZOOECJX-UHFFFAOYSA-N
XLogP9.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.65
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

8-(1,1-dichloroethyl)hexadec-6-ene
CID 150712657
(E,11S)-11-methyltricos-9-ene
CID 163215390
(E)-10-methylheptadec-8-ene
CID 10923034
5-methylpentadec-6-ene
CID 123440014
5-methyldodec-6-ene
CID 86165480
9,10-dioctyloctadeca-7,11-diene
CID 173120989
3-methyltetradec-4-ene
CID 123180851
4,5-dimethylicos-6-ene
CID 72645531
7-methylhexadec-5-ene
CID 150059561
(E)-6-butylhexacos-7-ene
CID 173194372
undec-5-en-4-ol
CID 73071371
tetrakis[(E)-hept-1-enyl]phosphanium
CID 118306753

Frequently Asked Questions

What is the IUPAC name of 4,4,5-tripropylpentadec-6-ene?
The IUPAC name of 4,4,5-tripropylpentadec-6-ene (CID 173312730) is 4,4,5-tripropylpentadec-6-ene.
What is the SMILES notation for 4,4,5-tripropylpentadec-6-ene?
The canonical SMILES for 4,4,5-tripropylpentadec-6-ene is CCCCCCCCC=CC(CCC)C(CCC)(CCC)CCC.
What is the InChIKey of 4,4,5-tripropylpentadec-6-ene?
The InChIKey is ZVPIBINZOOECJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48/c1-6-11-12-13-14-15-16-17-19-23(18-7-2)24(20-8-3,21-9-4)22-10-5/h17,19,23H,6-16,18,20-22H2,1-5H3.
What are the key properties of 4,4,5-tripropylpentadec-6-ene?
4,4,5-tripropylpentadec-6-ene has a molecular weight of 336.65 g/mol, XLogP of 9.10, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-tripropylpentadec-6-ene is sourced from PubChem (CID 173312730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).