(5-chloro-2,2-dimethyl-1,3-dioxol-4-yl)methanol

C6H9ClO3 — CID 141026015

IUPAC(5-chloro-2,2-dimethyl-1,3-dioxol-4-yl)methanol
SMILESCC1(C)OC(Cl)=C(CO)O1
InChIInChI=1S/C6H9ClO3/c1-6(2)9-4(3-8)5(7)10-6/h8H,3H2,1-2H3
InChIKeyKCRLRXYNIOAEJR-UHFFFAOYSA-N
MW164.59 g/mol
LogP1.17
Rot. Bonds1

About (5-chloro-2,2-dimethyl-1,3-dioxol-4-yl)methanol

(5-chloro-2,2-dimethyl-1,3-dioxol-4-yl)methanol (PubChem CID 141026015) has the molecular formula C6H9ClO3 and a molecular weight of 164.59 g/mol. Its IUPAC name is (5-chloro-2,2-dimethyl-1,3-dioxol-4-yl)methanol.

Molecular Properties

Compound Name(5-chloro-2,2-dimethyl-1,3-dioxol-4-yl)methanol
PubChem CID141026015
Molecular FormulaC6H9ClO3
Molecular Weight164.59 g/mol
Exact Mass164.02
IUPAC Name(5-chloro-2,2-dimethyl-1,3-dioxol-4-yl)methanol
SMILESCC1(C)OC(Cl)=C(CO)O1
InChIInChI=1S/C6H9ClO3/c1-6(2)9-4(3-8)5(7)10-6/h8H,3H2,1-2H3
InChIKeyKCRLRXYNIOAEJR-UHFFFAOYSA-N
XLogP1.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.59
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,2-dimethyl-1,3-dioxol-4-yl)methanol?
The IUPAC name of (5-chloro-2,2-dimethyl-1,3-dioxol-4-yl)methanol (CID 141026015) is (5-chloro-2,2-dimethyl-1,3-dioxol-4-yl)methanol.
What is the SMILES notation for (5-chloro-2,2-dimethyl-1,3-dioxol-4-yl)methanol?
The canonical SMILES for (5-chloro-2,2-dimethyl-1,3-dioxol-4-yl)methanol is CC1(C)OC(Cl)=C(CO)O1.
What is the InChIKey of (5-chloro-2,2-dimethyl-1,3-dioxol-4-yl)methanol?
The InChIKey is KCRLRXYNIOAEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO3/c1-6(2)9-4(3-8)5(7)10-6/h8H,3H2,1-2H3.
What are the key properties of (5-chloro-2,2-dimethyl-1,3-dioxol-4-yl)methanol?
(5-chloro-2,2-dimethyl-1,3-dioxol-4-yl)methanol has a molecular weight of 164.59 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,2-dimethyl-1,3-dioxol-4-yl)methanol is sourced from PubChem (CID 141026015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).