(3-prop-1-en-2-yloxan-4-yl)methanol

C9H16O2 — CID 130148077

IUPAC(3-prop-1-en-2-yloxan-4-yl)methanol
SMILESC=C(C)C1COCCC1CO
InChIInChI=1S/C9H16O2/c1-7(2)9-6-11-4-3-8(9)5-10/h8-10H,1,3-6H2,2H3
InChIKeyWZGRREIIJUFLBF-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.21
Rot. Bonds2

About (3-prop-1-en-2-yloxan-4-yl)methanol

(3-prop-1-en-2-yloxan-4-yl)methanol (PubChem CID 130148077) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (3-prop-1-en-2-yloxan-4-yl)methanol.

Molecular Properties

Compound Name(3-prop-1-en-2-yloxan-4-yl)methanol
PubChem CID130148077
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(3-prop-1-en-2-yloxan-4-yl)methanol
SMILESC=C(C)C1COCCC1CO
InChIInChI=1S/C9H16O2/c1-7(2)9-6-11-4-3-8(9)5-10/h8-10H,1,3-6H2,2H3
InChIKeyWZGRREIIJUFLBF-UHFFFAOYSA-N
XLogP1.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.21
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 (3-prop-1-en-2-yloxan-4-yl)methanol?
The IUPAC name of (3-prop-1-en-2-yloxan-4-yl)methanol (CID 130148077) is (3-prop-1-en-2-yloxan-4-yl)methanol.
What is the SMILES notation for (3-prop-1-en-2-yloxan-4-yl)methanol?
The canonical SMILES for (3-prop-1-en-2-yloxan-4-yl)methanol is C=C(C)C1COCCC1CO.
What is the InChIKey of (3-prop-1-en-2-yloxan-4-yl)methanol?
The InChIKey is WZGRREIIJUFLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(2)9-6-11-4-3-8(9)5-10/h8-10H,1,3-6H2,2H3.
What are the key properties of (3-prop-1-en-2-yloxan-4-yl)methanol?
(3-prop-1-en-2-yloxan-4-yl)methanol has a molecular weight of 156.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-prop-1-en-2-yloxan-4-yl)methanol is sourced from PubChem (CID 130148077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).