3-[(E)-3-chloroprop-2-enyl]oxan-4-ol

C8H13ClO2 — CID 107900956

IUPAC3-[(E)-3-chloroprop-2-enyl]oxan-4-ol
SMILESOC1CCOCC1C/C=C/Cl
InChIInChI=1S/C8H13ClO2/c9-4-1-2-7-6-11-5-3-8(7)10/h1,4,7-8,10H,2-3,5-6H2/b4-1+
InChIKeyHBOLBFOPNQGDRO-DAFODLJHSA-N
MW176.64 g/mol
LogP1.53
Rot. Bonds2

About 3-[(E)-3-chloroprop-2-enyl]oxan-4-ol

3-[(E)-3-chloroprop-2-enyl]oxan-4-ol (PubChem CID 107900956) has the molecular formula C8H13ClO2 and a molecular weight of 176.64 g/mol. Its IUPAC name is 3-[(E)-3-chloroprop-2-enyl]oxan-4-ol.

Molecular Properties

Compound Name3-[(E)-3-chloroprop-2-enyl]oxan-4-ol
PubChem CID107900956
Molecular FormulaC8H13ClO2
Molecular Weight176.64 g/mol
Exact Mass176.06
IUPAC Name3-[(E)-3-chloroprop-2-enyl]oxan-4-ol
SMILESOC1CCOCC1C/C=C/Cl
InChIInChI=1S/C8H13ClO2/c9-4-1-2-7-6-11-5-3-8(7)10/h1,4,7-8,10H,2-3,5-6H2/b4-1+
InChIKeyHBOLBFOPNQGDRO-DAFODLJHSA-N
XLogP1.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.64
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-chloroprop-2-enyl]oxan-4-ol?
The IUPAC name of 3-[(E)-3-chloroprop-2-enyl]oxan-4-ol (CID 107900956) is 3-[(E)-3-chloroprop-2-enyl]oxan-4-ol.
What is the SMILES notation for 3-[(E)-3-chloroprop-2-enyl]oxan-4-ol?
The canonical SMILES for 3-[(E)-3-chloroprop-2-enyl]oxan-4-ol is OC1CCOCC1C/C=C/Cl.
What is the InChIKey of 3-[(E)-3-chloroprop-2-enyl]oxan-4-ol?
The InChIKey is HBOLBFOPNQGDRO-DAFODLJHSA-N. The full InChI is InChI=1S/C8H13ClO2/c9-4-1-2-7-6-11-5-3-8(7)10/h1,4,7-8,10H,2-3,5-6H2/b4-1+.
What are the key properties of 3-[(E)-3-chloroprop-2-enyl]oxan-4-ol?
3-[(E)-3-chloroprop-2-enyl]oxan-4-ol has a molecular weight of 176.64 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-chloroprop-2-enyl]oxan-4-ol is sourced from PubChem (CID 107900956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).