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

C11H22O3 — CID 21898

IUPAC(2-tert-butyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanol
SMILESCC(C)C1(C(C)(C)C)OCC(CO)O1
InChIInChI=1S/C11H22O3/c1-8(2)11(10(3,4)5)13-7-9(6-12)14-11/h8-9,12H,6-7H2,1-5H3
InChIKeyZQKFYBJMYPQDRL-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.79
Rot. Bonds2

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

(2-tert-butyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanol (PubChem CID 21898) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is (2-tert-butyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2-tert-butyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanol
PubChem CID21898
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name(2-tert-butyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanol
SMILESCC(C)C1(C(C)(C)C)OCC(CO)O1
InChIInChI=1S/C11H22O3/c1-8(2)11(10(3,4)5)13-7-9(6-12)14-11/h8-9,12H,6-7H2,1-5H3
InChIKeyZQKFYBJMYPQDRL-UHFFFAOYSA-N
XLogP1.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2-tert-butyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanol (CID 21898) is (2-tert-butyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2-tert-butyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2-tert-butyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanol is CC(C)C1(C(C)(C)C)OCC(CO)O1.
What is the InChIKey of (2-tert-butyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanol?
The InChIKey is ZQKFYBJMYPQDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-8(2)11(10(3,4)5)13-7-9(6-12)14-11/h8-9,12H,6-7H2,1-5H3.
What are the key properties of (2-tert-butyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanol?
(2-tert-butyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanol has a molecular weight of 202.29 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 21898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).