(3-hex-5-enyloxiran-2-yl)methanol

C9H16O2 — CID 14152344

IUPAC(3-hex-5-enyloxiran-2-yl)methanol
SMILESC=CCCCCC1OC1CO
InChIInChI=1S/C9H16O2/c1-2-3-4-5-6-8-9(7-10)11-8/h2,8-10H,1,3-7H2
InChIKeyPTKFEGVGRHWHBU-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.49
Rot. Bonds6

About (3-hex-5-enyloxiran-2-yl)methanol

(3-hex-5-enyloxiran-2-yl)methanol (PubChem CID 14152344) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (3-hex-5-enyloxiran-2-yl)methanol.

Molecular Properties

Compound Name(3-hex-5-enyloxiran-2-yl)methanol
PubChem CID14152344
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(3-hex-5-enyloxiran-2-yl)methanol
SMILESC=CCCCCC1OC1CO
InChIInChI=1S/C9H16O2/c1-2-3-4-5-6-8-9(7-10)11-8/h2,8-10H,1,3-7H2
InChIKeyPTKFEGVGRHWHBU-UHFFFAOYSA-N
XLogP1.49
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-hex-5-enyloxiran-2-yl)methanol?
The IUPAC name of (3-hex-5-enyloxiran-2-yl)methanol (CID 14152344) is (3-hex-5-enyloxiran-2-yl)methanol.
What is the SMILES notation for (3-hex-5-enyloxiran-2-yl)methanol?
The canonical SMILES for (3-hex-5-enyloxiran-2-yl)methanol is C=CCCCCC1OC1CO.
What is the InChIKey of (3-hex-5-enyloxiran-2-yl)methanol?
The InChIKey is PTKFEGVGRHWHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-4-5-6-8-9(7-10)11-8/h2,8-10H,1,3-7H2.
What are the key properties of (3-hex-5-enyloxiran-2-yl)methanol?
(3-hex-5-enyloxiran-2-yl)methanol has a molecular weight of 156.22 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hex-5-enyloxiran-2-yl)methanol is sourced from PubChem (CID 14152344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).