(4R)-4-methoxypent-2-yn-1-ol

C6H10O2 — CID 135046125

IUPAC(4R)-4-methoxypent-2-yn-1-ol
SMILESCO[C@H](C)C#CCO
InChIInChI=1S/C6H10O2/c1-6(8-2)4-3-5-7/h6-7H,5H2,1-2H3/t6-/m1/s1
InChIKeyLIDHNQKOTWIWKB-ZCFIWIBFSA-N
MW114.14 g/mol
LogP0.02
Rot. Bonds1

About (4R)-4-methoxypent-2-yn-1-ol

(4R)-4-methoxypent-2-yn-1-ol (PubChem CID 135046125) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (4R)-4-methoxypent-2-yn-1-ol.

Molecular Properties

Compound Name(4R)-4-methoxypent-2-yn-1-ol
PubChem CID135046125
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(4R)-4-methoxypent-2-yn-1-ol
SMILESCO[C@H](C)C#CCO
InChIInChI=1S/C6H10O2/c1-6(8-2)4-3-5-7/h6-7H,5H2,1-2H3/t6-/m1/s1
InChIKeyLIDHNQKOTWIWKB-ZCFIWIBFSA-N
XLogP0.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-Hexyne-2,5-diol
CID 18198
3-Hexyn-2-ol
CID 7990
Hept-4-yn-2-ol
CID 89225
3-Pentyn-2-ol
CID 141344
(4R)-hex-2-yne-1,4-diol
CID 127046915
(4S)-hex-2-yne-1,4-diol
CID 102369829
2-Pentyne-1,4-diol
CID 102518
2-Hexyne-1,4-diol
CID 10887866
Hept-2-yne-1,4-diol
CID 15709797
2-Propyn-1-ol compound with methyloxirane
CID 57349557
4-Hexyn-3-ol
CID 140751
Hex-2-yne-1,5-diol
CID 12567910

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methoxypent-2-yn-1-ol?
The IUPAC name of (4R)-4-methoxypent-2-yn-1-ol (CID 135046125) is (4R)-4-methoxypent-2-yn-1-ol.
What is the SMILES notation for (4R)-4-methoxypent-2-yn-1-ol?
The canonical SMILES for (4R)-4-methoxypent-2-yn-1-ol is CO[C@H](C)C#CCO.
What is the InChIKey of (4R)-4-methoxypent-2-yn-1-ol?
The InChIKey is LIDHNQKOTWIWKB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H10O2/c1-6(8-2)4-3-5-7/h6-7H,5H2,1-2H3/t6-/m1/s1.
What are the key properties of (4R)-4-methoxypent-2-yn-1-ol?
(4R)-4-methoxypent-2-yn-1-ol has a molecular weight of 114.14 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methoxypent-2-yn-1-ol is sourced from PubChem (CID 135046125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).