(2-methyl-2-propyl-1,3-dioxolan-4-yl)methanol

C8H16O3 — CID 20372

IUPAC(2-methyl-2-propyl-1,3-dioxolan-4-yl)methanol
SMILESCCCC1(C)OCC(CO)O1
InChIInChI=1S/C8H16O3/c1-3-4-8(2)10-6-7(5-9)11-8/h7,9H,3-6H2,1-2H3
InChIKeyIZPZBYRDQNNRKA-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.91
Rot. Bonds3

About (2-methyl-2-propyl-1,3-dioxolan-4-yl)methanol

(2-methyl-2-propyl-1,3-dioxolan-4-yl)methanol (PubChem CID 20372) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2-methyl-2-propyl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2-methyl-2-propyl-1,3-dioxolan-4-yl)methanol
PubChem CID20372
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2-methyl-2-propyl-1,3-dioxolan-4-yl)methanol
SMILESCCCC1(C)OCC(CO)O1
InChIInChI=1S/C8H16O3/c1-3-4-8(2)10-6-7(5-9)11-8/h7,9H,3-6H2,1-2H3
InChIKeyIZPZBYRDQNNRKA-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Solketal
CID 7528
2,2-Bis(1-methylethyl)-1,3-dioxolane-4-methanol
CID 10105
(2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran
CID 448719
2-Isobutyl-2-methyl-1,3-dioxolane-4-methanol
CID 21869
(1,4-Dioxaspiro(4.5)decan-2-yl)methanol
CID 20128
4-Hydroxymethyl-2-(2-methylpropyl)-1,3-dioxolane
CID 71587178
2,2-Diethyl-1,3-dioxolane-4-methanol
CID 21902
(2,4-Dimethyl-1,3-dioxolan-2-yl)methanol
CID 538742
(R)-Solketal
CID 736056
(+)-Solketal
CID 736057
1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, (4S,5S)-
CID 785242
1,3-Dioxolane-4,5-dimethanol, 2,2-dimethyl-, (4R,5R)-
CID 785244

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-propyl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2-methyl-2-propyl-1,3-dioxolan-4-yl)methanol (CID 20372) is (2-methyl-2-propyl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2-methyl-2-propyl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2-methyl-2-propyl-1,3-dioxolan-4-yl)methanol is CCCC1(C)OCC(CO)O1.
What is the InChIKey of (2-methyl-2-propyl-1,3-dioxolan-4-yl)methanol?
The InChIKey is IZPZBYRDQNNRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-4-8(2)10-6-7(5-9)11-8/h7,9H,3-6H2,1-2H3.
What are the key properties of (2-methyl-2-propyl-1,3-dioxolan-4-yl)methanol?
(2-methyl-2-propyl-1,3-dioxolan-4-yl)methanol has a molecular weight of 160.21 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-propyl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 20372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).