3-(3-chloro-2-methylprop-2-enyl)oxan-4-ol

C9H15ClO2 — CID 106439788

IUPAC3-(3-chloro-2-methylprop-2-enyl)oxan-4-ol
SMILESCC(=CCl)CC1COCCC1O
InChIInChI=1S/C9H15ClO2/c1-7(5-10)4-8-6-12-3-2-9(8)11/h5,8-9,11H,2-4,6H2,1H3
InChIKeyCNBQHYUCRGVIIC-UHFFFAOYSA-N
MW190.67 g/mol
LogP1.92
Rot. Bonds2

About 3-(3-chloro-2-methylprop-2-enyl)oxan-4-ol

3-(3-chloro-2-methylprop-2-enyl)oxan-4-ol (PubChem CID 106439788) has the molecular formula C9H15ClO2 and a molecular weight of 190.67 g/mol. Its IUPAC name is 3-(3-chloro-2-methylprop-2-enyl)oxan-4-ol.

Molecular Properties

Compound Name3-(3-chloro-2-methylprop-2-enyl)oxan-4-ol
PubChem CID106439788
Molecular FormulaC9H15ClO2
Molecular Weight190.67 g/mol
Exact Mass190.08
IUPAC Name3-(3-chloro-2-methylprop-2-enyl)oxan-4-ol
SMILESCC(=CCl)CC1COCCC1O
InChIInChI=1S/C9H15ClO2/c1-7(5-10)4-8-6-12-3-2-9(8)11/h5,8-9,11H,2-4,6H2,1H3
InChIKeyCNBQHYUCRGVIIC-UHFFFAOYSA-N
XLogP1.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylprop-2-enyl)oxan-4-ol?
The IUPAC name of 3-(3-chloro-2-methylprop-2-enyl)oxan-4-ol (CID 106439788) is 3-(3-chloro-2-methylprop-2-enyl)oxan-4-ol.
What is the SMILES notation for 3-(3-chloro-2-methylprop-2-enyl)oxan-4-ol?
The canonical SMILES for 3-(3-chloro-2-methylprop-2-enyl)oxan-4-ol is CC(=CCl)CC1COCCC1O.
What is the InChIKey of 3-(3-chloro-2-methylprop-2-enyl)oxan-4-ol?
The InChIKey is CNBQHYUCRGVIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClO2/c1-7(5-10)4-8-6-12-3-2-9(8)11/h5,8-9,11H,2-4,6H2,1H3.
What are the key properties of 3-(3-chloro-2-methylprop-2-enyl)oxan-4-ol?
3-(3-chloro-2-methylprop-2-enyl)oxan-4-ol has a molecular weight of 190.67 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylprop-2-enyl)oxan-4-ol is sourced from PubChem (CID 106439788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).