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

C8H16O3 — CID 71587178

IUPAC[2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol
SMILESCC(C)CC1OCC(CO)O1
InChIInChI=1S/C8H16O3/c1-6(2)3-8-10-5-7(4-9)11-8/h6-9H,3-5H2,1-2H3
InChIKeyVLJPLCWWQHTPAZ-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.77
Rot. Bonds3

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

[2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol (PubChem CID 71587178) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is [2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol
PubChem CID71587178
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name[2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol
SMILESCC(C)CC1OCC(CO)O1
InChIInChI=1S/C8H16O3/c1-6(2)3-8-10-5-7(4-9)11-8/h6-9H,3-5H2,1-2H3
InChIKeyVLJPLCWWQHTPAZ-UHFFFAOYSA-N
XLogP0.77
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.77
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
2-Isobutyl-4-methyl-1,3-dioxolane
CID 86733
(2-Methyl-1,3-dioxolan-4-yl)methanol
CID 95269
2-Isobutyl-2-methyl-1,3-dioxolane-4-methanol
CID 21869
1,3-Dioxolane-4-methanol, 2-methyl-, (2R,4S)-rel-
CID 21678816
2-Methyl-2-propyl-1,3-dioxolane-4-methanol
CID 20372
2-(1-Ethylpentyl)-1,3-dioxolane-4-methanol
CID 21905
1,3-Dioxolane-4-methanol, 2-methyl-2-s-pentyl-
CID 45919
1,3-Dioxolane-4-methanol, 2-propyl-
CID 347827
2-i-Propyl-1,3-dioxolan-4-yl methanol
CID 44188289
(2-tert-Butyl-2-methyl-1,3-dioxolan-4-yl)methanol
CID 45917
(S)-4-(2-Hydroxyethyl)-2,2-diisopropyl-1,3-dioxolane
CID 54467051

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol (CID 71587178) is [2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol is CC(C)CC1OCC(CO)O1.
What is the InChIKey of [2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is VLJPLCWWQHTPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-6(2)3-8-10-5-7(4-9)11-8/h6-9H,3-5H2,1-2H3.
What are the key properties of [2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol?
[2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 160.21 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 71587178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).