11-methyltridec-12-en-9-yn-1-ol

C14H24O — CID 71375174

IUPAC11-methyltridec-12-en-9-yn-1-ol
SMILESC=CC(C)C#CCCCCCCCCO
InChIInChI=1S/C14H24O/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15/h3,14-15H,1,4-9,11,13H2,2H3
InChIKeyQRHILPABMLIIAC-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.53
Rot. Bonds8

About 11-methyltridec-12-en-9-yn-1-ol

11-methyltridec-12-en-9-yn-1-ol (PubChem CID 71375174) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 11-methyltridec-12-en-9-yn-1-ol.

Molecular Properties

Compound Name11-methyltridec-12-en-9-yn-1-ol
PubChem CID71375174
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name11-methyltridec-12-en-9-yn-1-ol
SMILESC=CC(C)C#CCCCCCCCCO
InChIInChI=1S/C14H24O/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15/h3,14-15H,1,4-9,11,13H2,2H3
InChIKeyQRHILPABMLIIAC-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-ethylnon-8-en-5-yn-1-ol
CID 121216513
6-ethenyltetradec-7-yne-1,5-diol
CID 71379608
16-methylheptadec-9-yn-1-ol
CID 139685111
19-methylicos-11-yn-1-ol
CID 141402003
undec-7-yn-1-ol
CID 10909966
non-6-yn-1-ol
CID 3017913
heptadec-8-yn-1-ol
CID 10491053
tetradec-5-yn-1-ol
CID 15730841
non-2-yne-1,9-diol
CID 10997284
nonadeca-6,9,12-triyne-1,19-diol
CID 171715193
undec-5-yn-1-ol
CID 13113234
hexadeca-9,11-diyn-1-ol
CID 24975633

Frequently Asked Questions

What is the IUPAC name of 11-methyltridec-12-en-9-yn-1-ol?
The IUPAC name of 11-methyltridec-12-en-9-yn-1-ol (CID 71375174) is 11-methyltridec-12-en-9-yn-1-ol.
What is the SMILES notation for 11-methyltridec-12-en-9-yn-1-ol?
The canonical SMILES for 11-methyltridec-12-en-9-yn-1-ol is C=CC(C)C#CCCCCCCCCO.
What is the InChIKey of 11-methyltridec-12-en-9-yn-1-ol?
The InChIKey is QRHILPABMLIIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15/h3,14-15H,1,4-9,11,13H2,2H3.
What are the key properties of 11-methyltridec-12-en-9-yn-1-ol?
11-methyltridec-12-en-9-yn-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyltridec-12-en-9-yn-1-ol is sourced from PubChem (CID 71375174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).