4-methyldec-1-yn-4-ol

C11H20O — CID 12573338

IUPAC4-methyldec-1-yn-4-ol
SMILESC#CCC(C)(O)CCCCCC
InChIInChI=1S/C11H20O/c1-4-6-7-8-10-11(3,12)9-5-2/h2,12H,4,6-10H2,1,3H3
InChIKeyOCPUNOYFRXNPCT-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.73
Rot. Bonds6

About 4-methyldec-1-yn-4-ol

4-methyldec-1-yn-4-ol (PubChem CID 12573338) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-methyldec-1-yn-4-ol.

Molecular Properties

Compound Name4-methyldec-1-yn-4-ol
PubChem CID12573338
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4-methyldec-1-yn-4-ol
SMILESC#CCC(C)(O)CCCCCC
InChIInChI=1S/C11H20O/c1-4-6-7-8-10-11(3,12)9-5-2/h2,12H,4,6-10H2,1,3H3
InChIKeyOCPUNOYFRXNPCT-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.73
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

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2-methyldodecan-2-ol
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(10S,13S)-10,13-dimethyldocos-11-yne-10,13-diol
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2-methyl-1-(methylamino)undecan-2-ol
CID 66039125
4-hydroxy-4-methyltetradecan-2-one
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1-(tert-butylamino)-2-methylnonan-2-ol
CID 62774519
1-(2-hydroxy-2-methyldodecyl)sulfinyl-2-methyldodecan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 4-methyldec-1-yn-4-ol?
The IUPAC name of 4-methyldec-1-yn-4-ol (CID 12573338) is 4-methyldec-1-yn-4-ol.
What is the SMILES notation for 4-methyldec-1-yn-4-ol?
The canonical SMILES for 4-methyldec-1-yn-4-ol is C#CCC(C)(O)CCCCCC.
What is the InChIKey of 4-methyldec-1-yn-4-ol?
The InChIKey is OCPUNOYFRXNPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-6-7-8-10-11(3,12)9-5-2/h2,12H,4,6-10H2,1,3H3.
What are the key properties of 4-methyldec-1-yn-4-ol?
4-methyldec-1-yn-4-ol has a molecular weight of 168.28 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyldec-1-yn-4-ol is sourced from PubChem (CID 12573338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).