7,8-dimethyltridec-6-ene

C15H30 — CID 123214902

IUPAC7,8-dimethyltridec-6-ene
SMILESCCCCCC=C(C)C(C)CCCCC
InChIInChI=1S/C15H30/c1-5-7-9-11-13-15(4)14(3)12-10-8-6-2/h13-14H,5-12H2,1-4H3
InChIKeyPEDDUXBMPAIHHX-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.73
Rot. Bonds9

About 7,8-dimethyltridec-6-ene

7,8-dimethyltridec-6-ene (PubChem CID 123214902) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 7,8-dimethyltridec-6-ene.

Molecular Properties

Compound Name7,8-dimethyltridec-6-ene
PubChem CID123214902
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name7,8-dimethyltridec-6-ene
SMILESCCCCCC=C(C)C(C)CCCCC
InChIInChI=1S/C15H30/c1-5-7-9-11-13-15(4)14(3)12-10-8-6-2/h13-14H,5-12H2,1-4H3
InChIKeyPEDDUXBMPAIHHX-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

2,3,4-trimethyldec-4-ene
CID 123648620
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CID 123573024
(E)-2-[(E)-pentadec-2-en-2-yl]oxypentadec-2-ene
CID 90470665
3-methyl-2-pentylideneoctanoic acid
CID 152706182
1-(10-methyltricos-9-en-11-yl)pyrrole
CID 68723893
(3R)-3-methyloctan-2-one
CID 158725350
(E)-2,10,16-trimethyldocos-2-enal
CID 14804078
2,8-dimethylhexadec-2-enoic acid
CID 90737317
3-methyltridecan-2-one
CID 58341645
3-methyloctadecan-2-one
CID 89177698
2,3,4-trimethylhexadec-2-ene
CID 90705633

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyltridec-6-ene?
The IUPAC name of 7,8-dimethyltridec-6-ene (CID 123214902) is 7,8-dimethyltridec-6-ene.
What is the SMILES notation for 7,8-dimethyltridec-6-ene?
The canonical SMILES for 7,8-dimethyltridec-6-ene is CCCCCC=C(C)C(C)CCCCC.
What is the InChIKey of 7,8-dimethyltridec-6-ene?
The InChIKey is PEDDUXBMPAIHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-5-7-9-11-13-15(4)14(3)12-10-8-6-2/h13-14H,5-12H2,1-4H3.
What are the key properties of 7,8-dimethyltridec-6-ene?
7,8-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 7,8-dimethyltridec-6-ene is sourced from PubChem (CID 123214902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).