5-prop-1-enyltridecane

C16H32 — CID 57064303

IUPAC5-prop-1-enyltridecane
SMILESCC=CC(CCCC)CCCCCCCC
InChIInChI=1S/C16H32/c1-4-7-9-10-11-12-15-16(13-6-3)14-8-5-2/h6,13,16H,4-5,7-12,14-15H2,1-3H3
InChIKeyHVNYVLWWBSNJAE-UHFFFAOYSA-N
MW224.43 g/mol
LogP6.12
Rot. Bonds11

About 5-prop-1-enyltridecane

5-prop-1-enyltridecane (PubChem CID 57064303) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 5-prop-1-enyltridecane.

Molecular Properties

Compound Name5-prop-1-enyltridecane
PubChem CID57064303
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name5-prop-1-enyltridecane
SMILESCC=CC(CCCC)CCCCCCCC
InChIInChI=1S/C16H32/c1-4-7-9-10-11-12-15-16(13-6-3)14-8-5-2/h6,13,16H,4-5,7-12,14-15H2,1-3H3
InChIKeyHVNYVLWWBSNJAE-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 56.12
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

6-[(E)-prop-1-enyl]undecane
CID 134941128
2-prop-1-enylhexan-1-ol
CID 57263629
(E)-6-butylhexacos-7-ene
CID 173194372
(E)-4-methylicos-2-ene
CID 166512402
propane;(E)-5-[(Z)-prop-1-enyl]non-2-ene
CID 143978428
(E)-4-chloroundec-2-ene
CID 88753287
(Z)-undec-2-en-4-ol
CID 14320443
5-prop-1-enyldec-2-en-1-ol
CID 87694754
6-but-1-enylundecane
CID 91155625
2-[(Z)-prop-1-enyl]heptyldiazene
CID 155484862
4-(2-fluoroethenyl)decane
CID 134268972
7-[(Z)-4-methylpent-1-enyl]tridecane
CID 140612974

Frequently Asked Questions

What is the IUPAC name of 5-prop-1-enyltridecane?
The IUPAC name of 5-prop-1-enyltridecane (CID 57064303) is 5-prop-1-enyltridecane.
What is the SMILES notation for 5-prop-1-enyltridecane?
The canonical SMILES for 5-prop-1-enyltridecane is CC=CC(CCCC)CCCCCCCC.
What is the InChIKey of 5-prop-1-enyltridecane?
The InChIKey is HVNYVLWWBSNJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-4-7-9-10-11-12-15-16(13-6-3)14-8-5-2/h6,13,16H,4-5,7-12,14-15H2,1-3H3.
What are the key properties of 5-prop-1-enyltridecane?
5-prop-1-enyltridecane has a molecular weight of 224.43 g/mol, XLogP of 6.12, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-enyltridecane is sourced from PubChem (CID 57064303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).