2,13-dimethyltetradec-4-ene

C16H32 — CID 139930710

IUPAC2,13-dimethyltetradec-4-ene
SMILESCC(C)CC=CCCCCCCCC(C)C
InChIInChI=1S/C16H32/c1-15(2)13-11-9-7-5-6-8-10-12-14-16(3)4/h9,11,15-16H,5-8,10,12-14H2,1-4H3
InChIKeyOFUXLSYGGKOIJR-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.98
Rot. Bonds10

About 2,13-dimethyltetradec-4-ene

2,13-dimethyltetradec-4-ene (PubChem CID 139930710) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 2,13-dimethyltetradec-4-ene.

Molecular Properties

Compound Name2,13-dimethyltetradec-4-ene
PubChem CID139930710
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name2,13-dimethyltetradec-4-ene
SMILESCC(C)CC=CCCCCCCCC(C)C
InChIInChI=1S/C16H32/c1-15(2)13-11-9-7-5-6-8-10-12-14-16(3)4/h9,11,15-16H,5-8,10,12-14H2,1-4H3
InChIKeyOFUXLSYGGKOIJR-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.98
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)-2,15-dimethylhexadec-8-ene
CID 176630932
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
(Z)-2,16-dimethylheptadec-6-ene
CID 176630987
(E)-2,16-dimethylheptadec-6-ene
CID 176630989
(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene
CID 161032897
(E)-2,13-dimethyltetradec-7-ene
CID 176630990
(E)-2,12-dimethyltridec-6-ene
CID 176630963
(E)-2,11-dimethyldodec-5-ene
CID 168834978
10-methylundec-3-ene
CID 544769
(E)-2-methylheptadec-7-ene
CID 173124832
(Z)-22-methyltricos-9-ene
CID 152752766
(E)-2-methylheptadec-8-ene
CID 20541049

Frequently Asked Questions

What is the IUPAC name of 2,13-dimethyltetradec-4-ene?
The IUPAC name of 2,13-dimethyltetradec-4-ene (CID 139930710) is 2,13-dimethyltetradec-4-ene.
What is the SMILES notation for 2,13-dimethyltetradec-4-ene?
The canonical SMILES for 2,13-dimethyltetradec-4-ene is CC(C)CC=CCCCCCCCC(C)C.
What is the InChIKey of 2,13-dimethyltetradec-4-ene?
The InChIKey is OFUXLSYGGKOIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-15(2)13-11-9-7-5-6-8-10-12-14-16(3)4/h9,11,15-16H,5-8,10,12-14H2,1-4H3.
What are the key properties of 2,13-dimethyltetradec-4-ene?
2,13-dimethyltetradec-4-ene has a molecular weight of 224.43 g/mol, XLogP of 5.98, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,13-dimethyltetradec-4-ene is sourced from PubChem (CID 139930710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).