(3-pent-4-enyloxiran-2-yl)methanol

C8H14O2 — CID 14017287

IUPAC(3-pent-4-enyloxiran-2-yl)methanol
SMILESC=CCCCC1OC1CO
InChIInChI=1S/C8H14O2/c1-2-3-4-5-7-8(6-9)10-7/h2,7-9H,1,3-6H2
InChIKeyYCZNSWCVOLTLPB-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.10
Rot. Bonds5

About (3-pent-4-enyloxiran-2-yl)methanol

(3-pent-4-enyloxiran-2-yl)methanol (PubChem CID 14017287) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (3-pent-4-enyloxiran-2-yl)methanol.

Molecular Properties

Compound Name(3-pent-4-enyloxiran-2-yl)methanol
PubChem CID14017287
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(3-pent-4-enyloxiran-2-yl)methanol
SMILESC=CCCCC1OC1CO
InChIInChI=1S/C8H14O2/c1-2-3-4-5-7-8(6-9)10-7/h2,7-9H,1,3-6H2
InChIKeyYCZNSWCVOLTLPB-UHFFFAOYSA-N
XLogP1.10
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.10
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-pent-4-enyloxiran-2-yl)methanol?
The IUPAC name of (3-pent-4-enyloxiran-2-yl)methanol (CID 14017287) is (3-pent-4-enyloxiran-2-yl)methanol.
What is the SMILES notation for (3-pent-4-enyloxiran-2-yl)methanol?
The canonical SMILES for (3-pent-4-enyloxiran-2-yl)methanol is C=CCCCC1OC1CO.
What is the InChIKey of (3-pent-4-enyloxiran-2-yl)methanol?
The InChIKey is YCZNSWCVOLTLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-3-4-5-7-8(6-9)10-7/h2,7-9H,1,3-6H2.
What are the key properties of (3-pent-4-enyloxiran-2-yl)methanol?
(3-pent-4-enyloxiran-2-yl)methanol has a molecular weight of 142.20 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pent-4-enyloxiran-2-yl)methanol is sourced from PubChem (CID 14017287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).