(1S)-1-(oxolan-2-yl)prop-2-yn-1-ol

C7H10O2 — CID 130563392

IUPAC(1S)-1-(oxolan-2-yl)prop-2-yn-1-ol
SMILESC#C[C@H](O)C1CCCO1
InChIInChI=1S/C7H10O2/c1-2-6(8)7-4-3-5-9-7/h1,6-8H,3-5H2/t6-,7?/m0/s1
InChIKeyQLRIKUZIPNICPC-PKPIPKONSA-N
MW126.15 g/mol
LogP0.16
Rot. Bonds1

About (1S)-1-(oxolan-2-yl)prop-2-yn-1-ol

(1S)-1-(oxolan-2-yl)prop-2-yn-1-ol (PubChem CID 130563392) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (1S)-1-(oxolan-2-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name(1S)-1-(oxolan-2-yl)prop-2-yn-1-ol
PubChem CID130563392
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(1S)-1-(oxolan-2-yl)prop-2-yn-1-ol
SMILESC#C[C@H](O)C1CCCO1
InChIInChI=1S/C7H10O2/c1-2-6(8)7-4-3-5-9-7/h1,6-8H,3-5H2/t6-,7?/m0/s1
InChIKeyQLRIKUZIPNICPC-PKPIPKONSA-N
XLogP0.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.16
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

1-(oxolan-2-yl)propane-1,2-diol
CID 142778097
(1R)-1-[(2S)-oxan-2-yl]prop-2-yn-1-amine
CID 124573145
N-[1-(oxolan-2-yl)prop-2-ynyl]acetamide
CID 131019437
bis(oxan-2-yl)methanol
CID 173021788
(1R)-1-[(2S)-oxolan-2-yl]hept-2-yn-1-ol
CID 130991988
(1S)-1-[(2S)-oxolan-2-yl]hept-2-yn-1-ol
CID 130875372
(1S)-1-(oxolan-2-yl)propan-1-ol
CID 67355523
(S)-cyclohexyl-[(2S)-oxolan-2-yl]methanol
CID 11240858
(1R)-1-[(2S)-oxolan-2-yl]propan-1-ol
CID 67355521
2-hydroxy-2-(oxolan-2-yl)acetamide
CID 82837458
1-(oxolan-2-yl)propane-1,3-diol
CID 119055061
[(1S)-1-[(2S)-oxan-2-yl]prop-2-ynyl] acetate
CID 10797506

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(oxolan-2-yl)prop-2-yn-1-ol?
The IUPAC name of (1S)-1-(oxolan-2-yl)prop-2-yn-1-ol (CID 130563392) is (1S)-1-(oxolan-2-yl)prop-2-yn-1-ol.
What is the SMILES notation for (1S)-1-(oxolan-2-yl)prop-2-yn-1-ol?
The canonical SMILES for (1S)-1-(oxolan-2-yl)prop-2-yn-1-ol is C#C[C@H](O)C1CCCO1.
What is the InChIKey of (1S)-1-(oxolan-2-yl)prop-2-yn-1-ol?
The InChIKey is QLRIKUZIPNICPC-PKPIPKONSA-N. The full InChI is InChI=1S/C7H10O2/c1-2-6(8)7-4-3-5-9-7/h1,6-8H,3-5H2/t6-,7?/m0/s1.
What are the key properties of (1S)-1-(oxolan-2-yl)prop-2-yn-1-ol?
(1S)-1-(oxolan-2-yl)prop-2-yn-1-ol has a molecular weight of 126.15 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(oxolan-2-yl)prop-2-yn-1-ol is sourced from PubChem (CID 130563392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).