2,12-dimethyltrideca-5,8-diyn-7-ol

C15H24O — CID 140765594

IUPAC2,12-dimethyltrideca-5,8-diyn-7-ol
SMILESCC(C)CCC#CC(O)C#CCCC(C)C
InChIInChI=1S/C15H24O/c1-13(2)9-5-7-11-15(16)12-8-6-10-14(3)4/h13-16H,5-6,9-10H2,1-4H3
InChIKeyOJGYJANMNORIER-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.23
Rot. Bonds4

About 2,12-dimethyltrideca-5,8-diyn-7-ol

2,12-dimethyltrideca-5,8-diyn-7-ol (PubChem CID 140765594) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2,12-dimethyltrideca-5,8-diyn-7-ol.

Molecular Properties

Compound Name2,12-dimethyltrideca-5,8-diyn-7-ol
PubChem CID140765594
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2,12-dimethyltrideca-5,8-diyn-7-ol
SMILESCC(C)CCC#CC(O)C#CCCC(C)C
InChIInChI=1S/C15H24O/c1-13(2)9-5-7-11-15(16)12-8-6-10-14(3)4/h13-16H,5-6,9-10H2,1-4H3
InChIKeyOJGYJANMNORIER-UHFFFAOYSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,12-dimethyltrideca-5,8-diyn-7-ol?
The IUPAC name of 2,12-dimethyltrideca-5,8-diyn-7-ol (CID 140765594) is 2,12-dimethyltrideca-5,8-diyn-7-ol.
What is the SMILES notation for 2,12-dimethyltrideca-5,8-diyn-7-ol?
The canonical SMILES for 2,12-dimethyltrideca-5,8-diyn-7-ol is CC(C)CCC#CC(O)C#CCCC(C)C.
What is the InChIKey of 2,12-dimethyltrideca-5,8-diyn-7-ol?
The InChIKey is OJGYJANMNORIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-13(2)9-5-7-11-15(16)12-8-6-10-14(3)4/h13-16H,5-6,9-10H2,1-4H3.
What are the key properties of 2,12-dimethyltrideca-5,8-diyn-7-ol?
2,12-dimethyltrideca-5,8-diyn-7-ol has a molecular weight of 220.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,12-dimethyltrideca-5,8-diyn-7-ol is sourced from PubChem (CID 140765594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).