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

C9H18O3 — CID 21869

IUPAC[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol
SMILESCC(C)CC1(C)OCC(CO)O1
InChIInChI=1S/C9H18O3/c1-7(2)4-9(3)11-6-8(5-10)12-9/h7-8,10H,4-6H2,1-3H3
InChIKeyDFDWGIZZMBNYBV-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.16
Rot. Bonds3

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

[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol (PubChem CID 21869) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is [2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol
PubChem CID21869
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol
SMILESCC(C)CC1(C)OCC(CO)O1
InChIInChI=1S/C9H18O3/c1-7(2)4-9(3)11-6-8(5-10)12-9/h7-8,10H,4-6H2,1-3H3
InChIKeyDFDWGIZZMBNYBV-UHFFFAOYSA-N
XLogP1.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Bis(1-methylethyl)-1,3-dioxolane-4-methanol
CID 10105
4-Hydroxymethyl-2-(2-methylpropyl)-1,3-dioxolane
CID 71587178
2,2-Diethyl-1,3-dioxolane-4-methanol
CID 21902
2-Methyl-2-propyl-1,3-dioxolane-4-methanol
CID 20372
1,3-Dioxolane-4-methanol, 2-butyl-2-methyl-
CID 21899
1,3-Dioxolane-4-methanol, 2,2-diisobutyl-
CID 21903
2-(1-Ethylpentyl)-1,3-dioxolane-4-methanol
CID 21905
(2,2-Dipropyl-1,3-dioxolan-4-yl)methanol
CID 21979
1,4-Dioxaspiro(4.4)nonane-2-methanol, 6-methyl-
CID 45283
1,3-Dioxolane-4-methanol, 2-methyl-2-s-pentyl-
CID 45919
1,3-Dioxolane-4-methanol, 2-t-butyl-2-isopropyl-
CID 21898
1,3-Dioxolane-4-methanol, 2-ethyl-2-isopentyl-
CID 21904

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol (CID 21869) is [2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol is CC(C)CC1(C)OCC(CO)O1.
What is the InChIKey of [2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is DFDWGIZZMBNYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-7(2)4-9(3)11-6-8(5-10)12-9/h7-8,10H,4-6H2,1-3H3.
What are the key properties of [2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol?
[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 174.24 g/mol, XLogP of 1.16, 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-dioxolan-4-yl]methanol is sourced from PubChem (CID 21869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).