14-butan-2-yltetracos-9-ene

C28H56 — CID 173194129

IUPAC14-butan-2-yltetracos-9-ene
SMILESCCCCCCCCC=CCCCC(CCCCCCCCCC)C(C)CC
InChIInChI=1S/C28H56/c1-5-8-10-12-14-16-17-18-20-22-24-26-28(27(4)7-3)25-23-21-19-15-13-11-9-6-2/h18,20,27-28H,5-17,19,21-26H2,1-4H3
InChIKeyCYUHWLHVYIPPTB-UHFFFAOYSA-N
MW392.76 g/mol
LogP10.66
Rot. Bonds22

About 14-butan-2-yltetracos-9-ene

14-butan-2-yltetracos-9-ene (PubChem CID 173194129) has the molecular formula C28H56 and a molecular weight of 392.76 g/mol. Its IUPAC name is 14-butan-2-yltetracos-9-ene.

Molecular Properties

Compound Name14-butan-2-yltetracos-9-ene
PubChem CID173194129
Molecular FormulaC28H56
Molecular Weight392.76 g/mol
Exact Mass392.44
IUPAC Name14-butan-2-yltetracos-9-ene
SMILESCCCCCCCCC=CCCCC(CCCCCCCCCC)C(C)CC
InChIInChI=1S/C28H56/c1-5-8-10-12-14-16-17-18-20-22-24-26-28(27(4)7-3)25-23-21-19-15-13-11-9-6-2/h18,20,27-28H,5-17,19,21-26H2,1-4H3
InChIKeyCYUHWLHVYIPPTB-UHFFFAOYSA-N
XLogP10.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.76
LogP ≤ 510.66
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

(E)-5-propan-2-yltetracos-11-ene
CID 173194520
(Z)-14-methyltricos-9-ene
CID 15730850
11-methylheptadec-6-ene
CID 91113943
4-ethyl-3-methylundecane
CID 57279647
2-methylhenicos-9-ene
CID 54211724
(E)-2-methylheptadec-7-ene
CID 173124832
heptatriaconta-6,28-dien-19-amine
CID 123539967
(E)-2-methylheptadec-8-ene
CID 20541049
(E)-13-methyltetracos-6-ene
CID 173194183
(Z)-22-methyltricos-9-ene
CID 152752766
12-methylicos-6-ene
CID 91498266
(Z)-N,N-dimethyl-7-[(Z)-non-6-en-2-yl]heptadec-11-en-1-amine
CID 166796288

Frequently Asked Questions

What is the IUPAC name of 14-butan-2-yltetracos-9-ene?
The IUPAC name of 14-butan-2-yltetracos-9-ene (CID 173194129) is 14-butan-2-yltetracos-9-ene.
What is the SMILES notation for 14-butan-2-yltetracos-9-ene?
The canonical SMILES for 14-butan-2-yltetracos-9-ene is CCCCCCCCC=CCCCC(CCCCCCCCCC)C(C)CC.
What is the InChIKey of 14-butan-2-yltetracos-9-ene?
The InChIKey is CYUHWLHVYIPPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56/c1-5-8-10-12-14-16-17-18-20-22-24-26-28(27(4)7-3)25-23-21-19-15-13-11-9-6-2/h18,20,27-28H,5-17,19,21-26H2,1-4H3.
What are the key properties of 14-butan-2-yltetracos-9-ene?
14-butan-2-yltetracos-9-ene has a molecular weight of 392.76 g/mol, XLogP of 10.66, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14-butan-2-yltetracos-9-ene is sourced from PubChem (CID 173194129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).