(E)-4-(2-methyloxolan-2-yl)but-3-en-1-ol

C9H16O2 — CID 12836083

IUPAC(E)-4-(2-methyloxolan-2-yl)but-3-en-1-ol
SMILESCC1(/C=C/CCO)CCCO1
InChIInChI=1S/C9H16O2/c1-9(5-2-3-7-10)6-4-8-11-9/h2,5,10H,3-4,6-8H2,1H3/b5-2+
InChIKeyRPFTXMAAQBKLAS-GORDUTHDSA-N
MW156.22 g/mol
LogP1.49
Rot. Bonds3

About (E)-4-(2-methyloxolan-2-yl)but-3-en-1-ol

(E)-4-(2-methyloxolan-2-yl)but-3-en-1-ol (PubChem CID 12836083) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (E)-4-(2-methyloxolan-2-yl)but-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-(2-methyloxolan-2-yl)but-3-en-1-ol
PubChem CID12836083
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(E)-4-(2-methyloxolan-2-yl)but-3-en-1-ol
SMILESCC1(/C=C/CCO)CCCO1
InChIInChI=1S/C9H16O2/c1-9(5-2-3-7-10)6-4-8-11-9/h2,5,10H,3-4,6-8H2,1H3/b5-2+
InChIKeyRPFTXMAAQBKLAS-GORDUTHDSA-N
XLogP1.49
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 ≤ 51.49
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 (E)-4-(2-methyloxolan-2-yl)but-3-en-1-ol?
The IUPAC name of (E)-4-(2-methyloxolan-2-yl)but-3-en-1-ol (CID 12836083) is (E)-4-(2-methyloxolan-2-yl)but-3-en-1-ol.
What is the SMILES notation for (E)-4-(2-methyloxolan-2-yl)but-3-en-1-ol?
The canonical SMILES for (E)-4-(2-methyloxolan-2-yl)but-3-en-1-ol is CC1(/C=C/CCO)CCCO1.
What is the InChIKey of (E)-4-(2-methyloxolan-2-yl)but-3-en-1-ol?
The InChIKey is RPFTXMAAQBKLAS-GORDUTHDSA-N. The full InChI is InChI=1S/C9H16O2/c1-9(5-2-3-7-10)6-4-8-11-9/h2,5,10H,3-4,6-8H2,1H3/b5-2+.
What are the key properties of (E)-4-(2-methyloxolan-2-yl)but-3-en-1-ol?
(E)-4-(2-methyloxolan-2-yl)but-3-en-1-ol has a molecular weight of 156.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-methyloxolan-2-yl)but-3-en-1-ol is sourced from PubChem (CID 12836083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).