(1S)-1-[(2S)-oxolan-2-yl]hept-2-yn-1-ol

C11H18O2 — CID 130875372

IUPAC(1S)-1-[(2S)-oxolan-2-yl]hept-2-yn-1-ol
SMILESCCCCC#C[C@H](O)[C@@H]1CCCO1
InChIInChI=1S/C11H18O2/c1-2-3-4-5-7-10(12)11-8-6-9-13-11/h10-12H,2-4,6,8-9H2,1H3/t10-,11-/m0/s1
InChIKeyVXLFAMSDLJHJHR-QWRGUYRKSA-N
MW182.26 g/mol
LogP1.72
Rot. Bonds3

About (1S)-1-[(2S)-oxolan-2-yl]hept-2-yn-1-ol

(1S)-1-[(2S)-oxolan-2-yl]hept-2-yn-1-ol (PubChem CID 130875372) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (1S)-1-[(2S)-oxolan-2-yl]hept-2-yn-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2S)-oxolan-2-yl]hept-2-yn-1-ol
PubChem CID130875372
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(1S)-1-[(2S)-oxolan-2-yl]hept-2-yn-1-ol
SMILESCCCCC#C[C@H](O)[C@@H]1CCCO1
InChIInChI=1S/C11H18O2/c1-2-3-4-5-7-10(12)11-8-6-9-13-11/h10-12H,2-4,6,8-9H2,1H3/t10-,11-/m0/s1
InChIKeyVXLFAMSDLJHJHR-QWRGUYRKSA-N
XLogP1.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(1R)-1-[(2S)-oxolan-2-yl]hept-2-yn-1-ol
CID 130991988
(1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol
CID 10997513
(1R)-1-[(2R)-oxolan-2-yl]tridecan-1-ol
CID 11086843
1-(oxolan-2-yl)heptan-1-ol
CID 65331076
(1S)-1-(oxolan-2-yl)prop-2-yn-1-ol
CID 130563392
(1S)-1-(oxolan-2-yl)propan-1-ol
CID 67355523
(1R)-1-[(2S)-oxolan-2-yl]propan-1-ol
CID 67355521
1-[(2R,3S)-3-phenylmethoxyoxan-2-yl]oct-2-yn-1-ol
CID 101000915
(2S)-2-[(1R)-1-iodohexyl]oxolane
CID 101448708
2-[hydroxy(oxolan-2-yl)methyl]butanenitrile
CID 82836919
2-oct-1-ynyloxolane
CID 15274342
3-methyl-1-(oxolan-2-yl)hexan-1-ol
CID 65331190

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S)-oxolan-2-yl]hept-2-yn-1-ol?
The IUPAC name of (1S)-1-[(2S)-oxolan-2-yl]hept-2-yn-1-ol (CID 130875372) is (1S)-1-[(2S)-oxolan-2-yl]hept-2-yn-1-ol.
What is the SMILES notation for (1S)-1-[(2S)-oxolan-2-yl]hept-2-yn-1-ol?
The canonical SMILES for (1S)-1-[(2S)-oxolan-2-yl]hept-2-yn-1-ol is CCCCC#C[C@H](O)[C@@H]1CCCO1.
What is the InChIKey of (1S)-1-[(2S)-oxolan-2-yl]hept-2-yn-1-ol?
The InChIKey is VXLFAMSDLJHJHR-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-3-4-5-7-10(12)11-8-6-9-13-11/h10-12H,2-4,6,8-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of (1S)-1-[(2S)-oxolan-2-yl]hept-2-yn-1-ol?
(1S)-1-[(2S)-oxolan-2-yl]hept-2-yn-1-ol has a molecular weight of 182.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S)-oxolan-2-yl]hept-2-yn-1-ol is sourced from PubChem (CID 130875372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).