[2-methyl-2-(2-methylpropyl)-1,3-dioxol-4-yl]methanol

C9H16O3 — CID 141251103

IUPAC[2-methyl-2-(2-methylpropyl)-1,3-dioxol-4-yl]methanol
SMILESCC(C)CC1(C)OC=C(CO)O1
InChIInChI=1S/C9H16O3/c1-7(2)4-9(3)11-6-8(5-10)12-9/h6-7,10H,4-5H2,1-3H3
InChIKeyVCYXPYVIHRIWQT-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.63
Rot. Bonds3

About [2-methyl-2-(2-methylpropyl)-1,3-dioxol-4-yl]methanol

[2-methyl-2-(2-methylpropyl)-1,3-dioxol-4-yl]methanol (PubChem CID 141251103) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is [2-methyl-2-(2-methylpropyl)-1,3-dioxol-4-yl]methanol.

Molecular Properties

Compound Name[2-methyl-2-(2-methylpropyl)-1,3-dioxol-4-yl]methanol
PubChem CID141251103
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name[2-methyl-2-(2-methylpropyl)-1,3-dioxol-4-yl]methanol
SMILESCC(C)CC1(C)OC=C(CO)O1
InChIInChI=1S/C9H16O3/c1-7(2)4-9(3)11-6-8(5-10)12-9/h6-7,10H,4-5H2,1-3H3
InChIKeyVCYXPYVIHRIWQT-UHFFFAOYSA-N
XLogP1.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(2-methylpropyl)-1,3-dioxol-4-yl]methanol?
The IUPAC name of [2-methyl-2-(2-methylpropyl)-1,3-dioxol-4-yl]methanol (CID 141251103) is [2-methyl-2-(2-methylpropyl)-1,3-dioxol-4-yl]methanol.
What is the SMILES notation for [2-methyl-2-(2-methylpropyl)-1,3-dioxol-4-yl]methanol?
The canonical SMILES for [2-methyl-2-(2-methylpropyl)-1,3-dioxol-4-yl]methanol is CC(C)CC1(C)OC=C(CO)O1.
What is the InChIKey of [2-methyl-2-(2-methylpropyl)-1,3-dioxol-4-yl]methanol?
The InChIKey is VCYXPYVIHRIWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-7(2)4-9(3)11-6-8(5-10)12-9/h6-7,10H,4-5H2,1-3H3.
What are the key properties of [2-methyl-2-(2-methylpropyl)-1,3-dioxol-4-yl]methanol?
[2-methyl-2-(2-methylpropyl)-1,3-dioxol-4-yl]methanol has a molecular weight of 172.22 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(2-methylpropyl)-1,3-dioxol-4-yl]methanol is sourced from PubChem (CID 141251103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).