7,11-dimethyltridec-6-ene

C15H30 — CID 91025564

IUPAC7,11-dimethyltridec-6-ene
SMILESCCCCCC=C(C)CCCC(C)CC
InChIInChI=1S/C15H30/c1-5-7-8-9-11-15(4)13-10-12-14(3)6-2/h11,14H,5-10,12-13H2,1-4H3
InChIKeyPOXBTFJQEYCZKX-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.73
Rot. Bonds9

About 7,11-dimethyltridec-6-ene

7,11-dimethyltridec-6-ene (PubChem CID 91025564) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 7,11-dimethyltridec-6-ene.

Molecular Properties

Compound Name7,11-dimethyltridec-6-ene
PubChem CID91025564
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name7,11-dimethyltridec-6-ene
SMILESCCCCCC=C(C)CCCC(C)CC
InChIInChI=1S/C15H30/c1-5-7-8-9-11-15(4)13-10-12-14(3)6-2/h11,14H,5-10,12-13H2,1-4H3
InChIKeyPOXBTFJQEYCZKX-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.73
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)-6,10-dimethylpentadec-5-en-2-ol
CID 129151744
6-methyldocos-6-ene
CID 629460
(E)-9-methylnonadec-9-ene
CID 14783585
7-methylhenicos-7-ene
CID 173033031
(E)-10-methylnonadec-9-ene
CID 5364653
7-methyloctadec-7-ene
CID 123477460
(E)-2,5,9-trimethylundec-4-ene
CID 157140245
(E)-6-methylpentadec-5-ene;(E)-6-methylpentadec-6-ene
CID 54602757
4-methylhexadec-4-ene
CID 174447790
(2Z,6Z)-3,7,11-trimethyldocosa-2,6-dienoic acid
CID 131839736
ethane;3-methylheptane;propan-2-imine
CID 142132474
3-methyldec-3-en-1-ol
CID 78409313

Frequently Asked Questions

What is the IUPAC name of 7,11-dimethyltridec-6-ene?
The IUPAC name of 7,11-dimethyltridec-6-ene (CID 91025564) is 7,11-dimethyltridec-6-ene.
What is the SMILES notation for 7,11-dimethyltridec-6-ene?
The canonical SMILES for 7,11-dimethyltridec-6-ene is CCCCCC=C(C)CCCC(C)CC.
What is the InChIKey of 7,11-dimethyltridec-6-ene?
The InChIKey is POXBTFJQEYCZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-5-7-8-9-11-15(4)13-10-12-14(3)6-2/h11,14H,5-10,12-13H2,1-4H3.
What are the key properties of 7,11-dimethyltridec-6-ene?
7,11-dimethyltridec-6-ene has a molecular weight of 210.40 g/mol, XLogP of 5.73, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11-dimethyltridec-6-ene is sourced from PubChem (CID 91025564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).