(2S,3R)-3-methyltridec-4-yn-2-ol

C14H26O — CID 134993671

IUPAC(2S,3R)-3-methyltridec-4-yn-2-ol
SMILESCCCCCCCCC#C[C@@H](C)[C@H](C)O
InChIInChI=1S/C14H26O/c1-4-5-6-7-8-9-10-11-12-13(2)14(3)15/h13-15H,4-10H2,1-3H3/t13-,14+/m1/s1
InChIKeyRFRLXJZZCNUHNY-KGLIPLIRSA-N
MW210.36 g/mol
LogP3.76
Rot. Bonds7

About (2S,3R)-3-methyltridec-4-yn-2-ol

(2S,3R)-3-methyltridec-4-yn-2-ol (PubChem CID 134993671) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is (2S,3R)-3-methyltridec-4-yn-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-methyltridec-4-yn-2-ol
PubChem CID134993671
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name(2S,3R)-3-methyltridec-4-yn-2-ol
SMILESCCCCCCCCC#C[C@@H](C)[C@H](C)O
InChIInChI=1S/C14H26O/c1-4-5-6-7-8-9-10-11-12-13(2)14(3)15/h13-15H,4-10H2,1-3H3/t13-,14+/m1/s1
InChIKeyRFRLXJZZCNUHNY-KGLIPLIRSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methyltridec-4-yn-2-ol?
The IUPAC name of (2S,3R)-3-methyltridec-4-yn-2-ol (CID 134993671) is (2S,3R)-3-methyltridec-4-yn-2-ol.
What is the SMILES notation for (2S,3R)-3-methyltridec-4-yn-2-ol?
The canonical SMILES for (2S,3R)-3-methyltridec-4-yn-2-ol is CCCCCCCCC#C[C@@H](C)[C@H](C)O.
What is the InChIKey of (2S,3R)-3-methyltridec-4-yn-2-ol?
The InChIKey is RFRLXJZZCNUHNY-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H26O/c1-4-5-6-7-8-9-10-11-12-13(2)14(3)15/h13-15H,4-10H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of (2S,3R)-3-methyltridec-4-yn-2-ol?
(2S,3R)-3-methyltridec-4-yn-2-ol has a molecular weight of 210.36 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methyltridec-4-yn-2-ol is sourced from PubChem (CID 134993671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).