2-(oxan-4-ylmethyl)prop-2-en-1-ol

C9H16O2 — CID 117266654

IUPAC2-(oxan-4-ylmethyl)prop-2-en-1-ol
SMILESC=C(CO)CC1CCOCC1
InChIInChI=1S/C9H16O2/c1-8(7-10)6-9-2-4-11-5-3-9/h9-10H,1-7H2
InChIKeyMJPBDRAYOPPQLD-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.35
Rot. Bonds3

About 2-(oxan-4-ylmethyl)prop-2-en-1-ol

2-(oxan-4-ylmethyl)prop-2-en-1-ol (PubChem CID 117266654) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(oxan-4-ylmethyl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(oxan-4-ylmethyl)prop-2-en-1-ol
PubChem CID117266654
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(oxan-4-ylmethyl)prop-2-en-1-ol
SMILESC=C(CO)CC1CCOCC1
InChIInChI=1S/C9H16O2/c1-8(7-10)6-9-2-4-11-5-3-9/h9-10H,1-7H2
InChIKeyMJPBDRAYOPPQLD-UHFFFAOYSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethyl)prop-2-en-1-ol?
The IUPAC name of 2-(oxan-4-ylmethyl)prop-2-en-1-ol (CID 117266654) is 2-(oxan-4-ylmethyl)prop-2-en-1-ol.
What is the SMILES notation for 2-(oxan-4-ylmethyl)prop-2-en-1-ol?
The canonical SMILES for 2-(oxan-4-ylmethyl)prop-2-en-1-ol is C=C(CO)CC1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylmethyl)prop-2-en-1-ol?
The InChIKey is MJPBDRAYOPPQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(7-10)6-9-2-4-11-5-3-9/h9-10H,1-7H2.
What are the key properties of 2-(oxan-4-ylmethyl)prop-2-en-1-ol?
2-(oxan-4-ylmethyl)prop-2-en-1-ol has a molecular weight of 156.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylmethyl)prop-2-en-1-ol is sourced from PubChem (CID 117266654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).