(2-propan-2-yl-1,3-dioxolan-2-yl)methanol

C7H14O3 — CID 18365134

IUPAC(2-propan-2-yl-1,3-dioxolan-2-yl)methanol
SMILESCC(C)C1(CO)OCCO1
InChIInChI=1S/C7H14O3/c1-6(2)7(5-8)9-3-4-10-7/h6,8H,3-5H2,1-2H3
InChIKeyGSPNVSBCAAAEAD-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.38
Rot. Bonds2

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

(2-propan-2-yl-1,3-dioxolan-2-yl)methanol (PubChem CID 18365134) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (2-propan-2-yl-1,3-dioxolan-2-yl)methanol.

Molecular Properties

Compound Name(2-propan-2-yl-1,3-dioxolan-2-yl)methanol
PubChem CID18365134
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(2-propan-2-yl-1,3-dioxolan-2-yl)methanol
SMILESCC(C)C1(CO)OCCO1
InChIInChI=1S/C7H14O3/c1-6(2)7(5-8)9-3-4-10-7/h6,8H,3-5H2,1-2H3
InChIKeyGSPNVSBCAAAEAD-UHFFFAOYSA-N
XLogP0.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yl-1,3-dioxolan-2-yl)methanol?
The IUPAC name of (2-propan-2-yl-1,3-dioxolan-2-yl)methanol (CID 18365134) is (2-propan-2-yl-1,3-dioxolan-2-yl)methanol.
What is the SMILES notation for (2-propan-2-yl-1,3-dioxolan-2-yl)methanol?
The canonical SMILES for (2-propan-2-yl-1,3-dioxolan-2-yl)methanol is CC(C)C1(CO)OCCO1.
What is the InChIKey of (2-propan-2-yl-1,3-dioxolan-2-yl)methanol?
The InChIKey is GSPNVSBCAAAEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-6(2)7(5-8)9-3-4-10-7/h6,8H,3-5H2,1-2H3.
What are the key properties of (2-propan-2-yl-1,3-dioxolan-2-yl)methanol?
(2-propan-2-yl-1,3-dioxolan-2-yl)methanol has a molecular weight of 146.19 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yl-1,3-dioxolan-2-yl)methanol is sourced from PubChem (CID 18365134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).