3,7,11-trimethyldodec-1-yn-1-ol

C15H28O — CID 15894901

IUPAC3,7,11-trimethyldodec-1-yn-1-ol
SMILESCC(C)CCCC(C)CCCC(C)C#CO
InChIInChI=1S/C15H28O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h13-16H,5-10H2,1-4H3
InChIKeyMVOXCDDZNFZHHL-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.59
Rot. Bonds8

About 3,7,11-trimethyldodec-1-yn-1-ol

3,7,11-trimethyldodec-1-yn-1-ol (PubChem CID 15894901) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 3,7,11-trimethyldodec-1-yn-1-ol.

Molecular Properties

Compound Name3,7,11-trimethyldodec-1-yn-1-ol
PubChem CID15894901
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name3,7,11-trimethyldodec-1-yn-1-ol
SMILESCC(C)CCCC(C)CCCC(C)C#CO
InChIInChI=1S/C15H28O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h13-16H,5-10H2,1-4H3
InChIKeyMVOXCDDZNFZHHL-UHFFFAOYSA-N
XLogP4.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.59
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 3,7,11-trimethyldodec-1-yn-1-ol?
The IUPAC name of 3,7,11-trimethyldodec-1-yn-1-ol (CID 15894901) is 3,7,11-trimethyldodec-1-yn-1-ol.
What is the SMILES notation for 3,7,11-trimethyldodec-1-yn-1-ol?
The canonical SMILES for 3,7,11-trimethyldodec-1-yn-1-ol is CC(C)CCCC(C)CCCC(C)C#CO.
What is the InChIKey of 3,7,11-trimethyldodec-1-yn-1-ol?
The InChIKey is MVOXCDDZNFZHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h13-16H,5-10H2,1-4H3.
What are the key properties of 3,7,11-trimethyldodec-1-yn-1-ol?
3,7,11-trimethyldodec-1-yn-1-ol has a molecular weight of 224.39 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyldodec-1-yn-1-ol is sourced from PubChem (CID 15894901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).