7-hex-1-en-2-yltridecane

C19H38 — CID 134978840

IUPAC7-hex-1-en-2-yltridecane
SMILESC=C(CCCC)C(CCCCCC)CCCCCC
InChIInChI=1S/C19H38/c1-5-8-11-13-16-19(17-14-12-9-6-2)18(4)15-10-7-3/h19H,4-17H2,1-3H3
InChIKeyUFHGQOWNXUVLEO-UHFFFAOYSA-N
MW266.51 g/mol
LogP7.29
Rot. Bonds14

About 7-hex-1-en-2-yltridecane

7-hex-1-en-2-yltridecane (PubChem CID 134978840) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is 7-hex-1-en-2-yltridecane.

Molecular Properties

Compound Name7-hex-1-en-2-yltridecane
PubChem CID134978840
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name7-hex-1-en-2-yltridecane
SMILESC=C(CCCC)C(CCCCCC)CCCCCC
InChIInChI=1S/C19H38/c1-5-8-11-13-16-19(17-14-12-9-6-2)18(4)15-10-7-3/h19H,4-17H2,1-3H3
InChIKeyUFHGQOWNXUVLEO-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 57.29
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

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Neophytadiene
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m-Camphorene
CID 5315649
1-Decene, dimer
CID 22833390
1-Heptene, 2,6-dimethyl-
CID 76492
(+-)-N,N-Dimethyl menthyl succinamide
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1-Methyl-4-(1-methylethenyl)cyclohexane
CID 14299
3-Ethyl-2-methyl-1-heptene
CID 140588
p-Menth-1(7)-ene
CID 517973
1,8-Nonadiene, 2,7-dimethyl-5-(1-methylethenyl)-
CID 572166

Frequently Asked Questions

What is the IUPAC name of 7-hex-1-en-2-yltridecane?
The IUPAC name of 7-hex-1-en-2-yltridecane (CID 134978840) is 7-hex-1-en-2-yltridecane.
What is the SMILES notation for 7-hex-1-en-2-yltridecane?
The canonical SMILES for 7-hex-1-en-2-yltridecane is C=C(CCCC)C(CCCCCC)CCCCCC.
What is the InChIKey of 7-hex-1-en-2-yltridecane?
The InChIKey is UFHGQOWNXUVLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38/c1-5-8-11-13-16-19(17-14-12-9-6-2)18(4)15-10-7-3/h19H,4-17H2,1-3H3.
What are the key properties of 7-hex-1-en-2-yltridecane?
7-hex-1-en-2-yltridecane has a molecular weight of 266.51 g/mol, XLogP of 7.29, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hex-1-en-2-yltridecane is sourced from PubChem (CID 134978840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).