(5R)-2-methyldodec-1-en-3-yn-5-ol

C13H22O — CID 71614596

IUPAC(5R)-2-methyldodec-1-en-3-yn-5-ol
SMILESC=C(C)C#C[C@H](O)CCCCCCC
InChIInChI=1S/C13H22O/c1-4-5-6-7-8-9-13(14)11-10-12(2)3/h13-14H,2,4-9H2,1,3H3/t13-/m1/s1
InChIKeyUWVXPHQDTSFXHL-CYBMUJFWSA-N
MW194.32 g/mol
LogP3.29
Rot. Bonds6

About (5R)-2-methyldodec-1-en-3-yn-5-ol

(5R)-2-methyldodec-1-en-3-yn-5-ol (PubChem CID 71614596) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (5R)-2-methyldodec-1-en-3-yn-5-ol.

Molecular Properties

Compound Name(5R)-2-methyldodec-1-en-3-yn-5-ol
PubChem CID71614596
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(5R)-2-methyldodec-1-en-3-yn-5-ol
SMILESC=C(C)C#C[C@H](O)CCCCCCC
InChIInChI=1S/C13H22O/c1-4-5-6-7-8-9-13(14)11-10-12(2)3/h13-14H,2,4-9H2,1,3H3/t13-/m1/s1
InChIKeyUWVXPHQDTSFXHL-CYBMUJFWSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.29
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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CID 86013126
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heptacos-10-yn-9-ol
CID 11058298
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
heptane-1,1-diol;hexane-1,1-diol
CID 161393558
nonacosane-1,1-diol
CID 23066924
decane;dodecane-1,1-diol
CID 162011285
dec-3-yne-2,5-diol
CID 154189679
(3S)-1-trimethylsilylpentadec-1-yn-3-ol
CID 11449349
(3R)-1-trimethylsilylpentadec-1-yn-3-ol
CID 10946406
(8S)-2,8-dimethyldeca-1,9-dien-3-yn-5-ol
CID 146164652

Frequently Asked Questions

What is the IUPAC name of (5R)-2-methyldodec-1-en-3-yn-5-ol?
The IUPAC name of (5R)-2-methyldodec-1-en-3-yn-5-ol (CID 71614596) is (5R)-2-methyldodec-1-en-3-yn-5-ol.
What is the SMILES notation for (5R)-2-methyldodec-1-en-3-yn-5-ol?
The canonical SMILES for (5R)-2-methyldodec-1-en-3-yn-5-ol is C=C(C)C#C[C@H](O)CCCCCCC.
What is the InChIKey of (5R)-2-methyldodec-1-en-3-yn-5-ol?
The InChIKey is UWVXPHQDTSFXHL-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H22O/c1-4-5-6-7-8-9-13(14)11-10-12(2)3/h13-14H,2,4-9H2,1,3H3/t13-/m1/s1.
What are the key properties of (5R)-2-methyldodec-1-en-3-yn-5-ol?
(5R)-2-methyldodec-1-en-3-yn-5-ol has a molecular weight of 194.32 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-methyldodec-1-en-3-yn-5-ol is sourced from PubChem (CID 71614596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).