(9R)-9-methyltridec-4-yn-1-ol

C14H26O — CID 134994793

IUPAC(9R)-9-methyltridec-4-yn-1-ol
SMILESCCCC[C@@H](C)CCCC#CCCCO
InChIInChI=1S/C14H26O/c1-3-4-11-14(2)12-9-7-5-6-8-10-13-15/h14-15H,3-4,7-13H2,1-2H3/t14-/m1/s1
InChIKeyARWMRGKBAGAYMD-CQSZACIVSA-N
MW210.36 g/mol
LogP3.76
Rot. Bonds8

About (9R)-9-methyltridec-4-yn-1-ol

(9R)-9-methyltridec-4-yn-1-ol (PubChem CID 134994793) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is (9R)-9-methyltridec-4-yn-1-ol.

Molecular Properties

Compound Name(9R)-9-methyltridec-4-yn-1-ol
PubChem CID134994793
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name(9R)-9-methyltridec-4-yn-1-ol
SMILESCCCC[C@@H](C)CCCC#CCCCO
InChIInChI=1S/C14H26O/c1-3-4-11-14(2)12-9-7-5-6-8-10-13-15/h14-15H,3-4,7-13H2,1-2H3/t14-/m1/s1
InChIKeyARWMRGKBAGAYMD-CQSZACIVSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.76
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

1-Pentanol, 2-propyl-
CID 123543
3-Nonyne-1,5-diol, 5-ethyl-7-methyl-
CID 56817
(8S)-8-methylhexadeca-2,4-diyn-1-ol
CID 162882095
2-Propyl-1-hexanol
CID 102493
2-Propyl-1-hexanol, (R)-
CID 89244085
2-Propyl-1-hexanol, (S)-
CID 91864500
3-Methyloct-6-yn-1-ol
CID 74439049
2-Butylhexanol
CID 76005
2-(Prop-2-yn-1-yl)hexan-1-ol
CID 130122708
(2S,3R)-3-methyltridec-4-yn-2-ol
CID 134993671
4-Cyclohexylbut-2-yn-1-ol
CID 13598014
8-Methylnon-2-yn-1-ol
CID 21488113

Frequently Asked Questions

What is the IUPAC name of (9R)-9-methyltridec-4-yn-1-ol?
The IUPAC name of (9R)-9-methyltridec-4-yn-1-ol (CID 134994793) is (9R)-9-methyltridec-4-yn-1-ol.
What is the SMILES notation for (9R)-9-methyltridec-4-yn-1-ol?
The canonical SMILES for (9R)-9-methyltridec-4-yn-1-ol is CCCC[C@@H](C)CCCC#CCCCO.
What is the InChIKey of (9R)-9-methyltridec-4-yn-1-ol?
The InChIKey is ARWMRGKBAGAYMD-CQSZACIVSA-N. The full InChI is InChI=1S/C14H26O/c1-3-4-11-14(2)12-9-7-5-6-8-10-13-15/h14-15H,3-4,7-13H2,1-2H3/t14-/m1/s1.
What are the key properties of (9R)-9-methyltridec-4-yn-1-ol?
(9R)-9-methyltridec-4-yn-1-ol has a molecular weight of 210.36 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-methyltridec-4-yn-1-ol is sourced from PubChem (CID 134994793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).