(E)-2,12-dimethyltridec-6-ene

C15H30 — CID 176630963

IUPAC(E)-2,12-dimethyltridec-6-ene
SMILESCC(C)CCC/C=C/CCCCC(C)C
InChIInChI=1S/C15H30/c1-14(2)12-10-8-6-5-7-9-11-13-15(3)4/h5-6,14-15H,7-13H2,1-4H3/b6-5+
InChIKeyMVAGBQHVISMTQT-AATRIKPKSA-N
MW210.41 g/mol
LogP5.59
Rot. Bonds9

About (E)-2,12-dimethyltridec-6-ene

(E)-2,12-dimethyltridec-6-ene (PubChem CID 176630963) has the molecular formula C15H30 and a molecular weight of 210.41 g/mol. Its IUPAC name is (E)-2,12-dimethyltridec-6-ene.

Molecular Properties

Compound Name(E)-2,12-dimethyltridec-6-ene
PubChem CID176630963
Molecular FormulaC15H30
Molecular Weight210.41 g/mol
Exact Mass210.23
IUPAC Name(E)-2,12-dimethyltridec-6-ene
SMILESCC(C)CCC/C=C/CCCCC(C)C
InChIInChI=1S/C15H30/c1-14(2)12-10-8-6-5-7-9-11-13-15(3)4/h5-6,14-15H,7-13H2,1-4H3/b6-5+
InChIKeyMVAGBQHVISMTQT-AATRIKPKSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.41
LogP ≤ 55.59
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

(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
(Z)-2,16-dimethylheptadec-6-ene
CID 176630987
(E)-2,16-dimethylheptadec-6-ene
CID 176630989
(E)-2,13-dimethyltetradec-7-ene
CID 176630990
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
(E)-2,15-dimethylhexadec-8-ene
CID 176630932
(E)-2,11-dimethyldodec-5-ene
CID 168834978
(Z)-11-methyldodec-5-ene
CID 159147265
(E)-2-methylheptadec-8-ene
CID 20541049
(E)-2-methylheptadec-7-ene
CID 173124832
(Z)-22-methyltricos-9-ene
CID 152752766
2-methylhenicos-9-ene
CID 54211724

Frequently Asked Questions

What is the IUPAC name of (E)-2,12-dimethyltridec-6-ene?
The IUPAC name of (E)-2,12-dimethyltridec-6-ene (CID 176630963) is (E)-2,12-dimethyltridec-6-ene.
What is the SMILES notation for (E)-2,12-dimethyltridec-6-ene?
The canonical SMILES for (E)-2,12-dimethyltridec-6-ene is CC(C)CCC/C=C/CCCCC(C)C.
What is the InChIKey of (E)-2,12-dimethyltridec-6-ene?
The InChIKey is MVAGBQHVISMTQT-AATRIKPKSA-N. The full InChI is InChI=1S/C15H30/c1-14(2)12-10-8-6-5-7-9-11-13-15(3)4/h5-6,14-15H,7-13H2,1-4H3/b6-5+.
What are the key properties of (E)-2,12-dimethyltridec-6-ene?
(E)-2,12-dimethyltridec-6-ene has a molecular weight of 210.41 g/mol, XLogP of 5.59, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,12-dimethyltridec-6-ene is sourced from PubChem (CID 176630963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).