16-methylheptadec-9-yn-1-ol

C18H34O — CID 139685111

IUPAC16-methylheptadec-9-yn-1-ol
SMILESCC(C)CCCCCC#CCCCCCCCCO
InChIInChI=1S/C18H34O/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h18-19H,3,5,7-17H2,1-2H3
InChIKeyHVXMYLBVPLSLLN-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.32
Rot. Bonds12

About 16-methylheptadec-9-yn-1-ol

16-methylheptadec-9-yn-1-ol (PubChem CID 139685111) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 16-methylheptadec-9-yn-1-ol.

Molecular Properties

Compound Name16-methylheptadec-9-yn-1-ol
PubChem CID139685111
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name16-methylheptadec-9-yn-1-ol
SMILESCC(C)CCCCCC#CCCCCCCCCO
InChIInChI=1S/C18H34O/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h18-19H,3,5,7-17H2,1-2H3
InChIKeyHVXMYLBVPLSLLN-UHFFFAOYSA-N
XLogP5.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

19-methylicos-11-yn-1-ol
CID 141402003
alumane;6-methylheptan-1-ol
CID 174615736
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CID 172760633
16-methylheptadecan-1-ol;titanium
CID 151630620
sodium;hydride;8-methylnonan-1-ol
CID 175362951
undec-7-yn-1-ol
CID 10909966
3-methylbutan-1-ol;9-methyldecan-1-ol;11-methyldodecan-1-ol;6-methylheptan-1-ol;5-methylhexan-1-ol;8-methylnonan-1-ol;7-methyloctan-1-ol;4-methylpentan-1-ol;12-methyltridecan-1-ol;10-methylundecan-1-ol
CID 161175838
CID 6335748
CID 6335748
bis(5-methylhexan-1-ol);zirconium(4+);tetrahydroxide
CID 175523353
tris(5-methylhexan-1-ol);titanium;dihydrate
CID 175523388
17-methyloctadecane-1,11-diol
CID 91311361
17-methyloctadec-2-yne
CID 123546762

Frequently Asked Questions

What is the IUPAC name of 16-methylheptadec-9-yn-1-ol?
The IUPAC name of 16-methylheptadec-9-yn-1-ol (CID 139685111) is 16-methylheptadec-9-yn-1-ol.
What is the SMILES notation for 16-methylheptadec-9-yn-1-ol?
The canonical SMILES for 16-methylheptadec-9-yn-1-ol is CC(C)CCCCCC#CCCCCCCCCO.
What is the InChIKey of 16-methylheptadec-9-yn-1-ol?
The InChIKey is HVXMYLBVPLSLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h18-19H,3,5,7-17H2,1-2H3.
What are the key properties of 16-methylheptadec-9-yn-1-ol?
16-methylheptadec-9-yn-1-ol has a molecular weight of 266.47 g/mol, XLogP of 5.32, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methylheptadec-9-yn-1-ol is sourced from PubChem (CID 139685111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).