(2-tert-butyl-1,3-dioxol-4-yl)methanol

C8H14O3 — CID 141098523

IUPAC(2-tert-butyl-1,3-dioxol-4-yl)methanol
SMILESCC(C)(C)C1OC=C(CO)O1
InChIInChI=1S/C8H14O3/c1-8(2,3)7-10-5-6(4-9)11-7/h5,7,9H,4H2,1-3H3
InChIKeyJYVLQXSLIYHXMW-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.24
Rot. Bonds1

About (2-tert-butyl-1,3-dioxol-4-yl)methanol

(2-tert-butyl-1,3-dioxol-4-yl)methanol (PubChem CID 141098523) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2-tert-butyl-1,3-dioxol-4-yl)methanol.

Molecular Properties

Compound Name(2-tert-butyl-1,3-dioxol-4-yl)methanol
PubChem CID141098523
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2-tert-butyl-1,3-dioxol-4-yl)methanol
SMILESCC(C)(C)C1OC=C(CO)O1
InChIInChI=1S/C8H14O3/c1-8(2,3)7-10-5-6(4-9)11-7/h5,7,9H,4H2,1-3H3
InChIKeyJYVLQXSLIYHXMW-UHFFFAOYSA-N
XLogP1.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1,3-dioxol-4-yl)methanol?
The IUPAC name of (2-tert-butyl-1,3-dioxol-4-yl)methanol (CID 141098523) is (2-tert-butyl-1,3-dioxol-4-yl)methanol.
What is the SMILES notation for (2-tert-butyl-1,3-dioxol-4-yl)methanol?
The canonical SMILES for (2-tert-butyl-1,3-dioxol-4-yl)methanol is CC(C)(C)C1OC=C(CO)O1.
What is the InChIKey of (2-tert-butyl-1,3-dioxol-4-yl)methanol?
The InChIKey is JYVLQXSLIYHXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-8(2,3)7-10-5-6(4-9)11-7/h5,7,9H,4H2,1-3H3.
What are the key properties of (2-tert-butyl-1,3-dioxol-4-yl)methanol?
(2-tert-butyl-1,3-dioxol-4-yl)methanol has a molecular weight of 158.20 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1,3-dioxol-4-yl)methanol is sourced from PubChem (CID 141098523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).