(2-methyl-2-propyl-1,3-dioxol-4-yl)methanol

C8H14O3 — CID 141256681

IUPAC(2-methyl-2-propyl-1,3-dioxol-4-yl)methanol
SMILESCCCC1(C)OC=C(CO)O1
InChIInChI=1S/C8H14O3/c1-3-4-8(2)10-6-7(5-9)11-8/h6,9H,3-5H2,1-2H3
InChIKeyVTIKARMUPXUQJR-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.38
Rot. Bonds3

About (2-methyl-2-propyl-1,3-dioxol-4-yl)methanol

(2-methyl-2-propyl-1,3-dioxol-4-yl)methanol (PubChem CID 141256681) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2-methyl-2-propyl-1,3-dioxol-4-yl)methanol.

Molecular Properties

Compound Name(2-methyl-2-propyl-1,3-dioxol-4-yl)methanol
PubChem CID141256681
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2-methyl-2-propyl-1,3-dioxol-4-yl)methanol
SMILESCCCC1(C)OC=C(CO)O1
InChIInChI=1S/C8H14O3/c1-3-4-8(2)10-6-7(5-9)11-8/h6,9H,3-5H2,1-2H3
InChIKeyVTIKARMUPXUQJR-UHFFFAOYSA-N
XLogP1.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-Dimethyl-1,3-dioxol-4-yl)methanol
CID 20552367
(2-Butyl-2-methyl-1,3-dioxol-4-yl)methanol
CID 101545510
(2-Methoxy-2-methyl-1,3-dioxol-4-yl)methanol
CID 140972174
(2-Methoxy-1,3-dioxol-4-yl)methanol
CID 140972175
1-(2,2-Dimethyl-1,3-dioxol-4-yl)ethanol
CID 141047571
(2-Methyl-1,3-dioxol-4-yl)methanol
CID 141070112
(2,2-Dimethyl-1,3-dioxol-4-yl)methanol;hydrate
CID 141082860
(2,4-Dimethyl-1,3-dioxol-2-yl)methanol
CID 141086844
(2-Tert-butyl-1,3-dioxol-4-yl)methanol
CID 141098523
(2,2-Diethyl-1,3-dioxol-4-yl)methanol
CID 141098527
(1R)-1-(2,2-dimethyl-1,3-dioxol-4-yl)ethanol
CID 141121981
[2-Methyl-2-(2-methylpropyl)-1,3-dioxol-4-yl]methanol
CID 141251103

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-propyl-1,3-dioxol-4-yl)methanol?
The IUPAC name of (2-methyl-2-propyl-1,3-dioxol-4-yl)methanol (CID 141256681) is (2-methyl-2-propyl-1,3-dioxol-4-yl)methanol.
What is the SMILES notation for (2-methyl-2-propyl-1,3-dioxol-4-yl)methanol?
The canonical SMILES for (2-methyl-2-propyl-1,3-dioxol-4-yl)methanol is CCCC1(C)OC=C(CO)O1.
What is the InChIKey of (2-methyl-2-propyl-1,3-dioxol-4-yl)methanol?
The InChIKey is VTIKARMUPXUQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-4-8(2)10-6-7(5-9)11-8/h6,9H,3-5H2,1-2H3.
What are the key properties of (2-methyl-2-propyl-1,3-dioxol-4-yl)methanol?
(2-methyl-2-propyl-1,3-dioxol-4-yl)methanol has a molecular weight of 158.20 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-propyl-1,3-dioxol-4-yl)methanol is sourced from PubChem (CID 141256681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).