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

C10H20O3 — CID 10105

💊View drug profile → promoxolane
IUPAC[2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]methanol
SMILESCC(C)C1(C(C)C)OCC(CO)O1
InChIInChI=1S/C10H20O3/c1-7(2)10(8(3)4)12-6-9(5-11)13-10/h7-9,11H,5-6H2,1-4H3
InChIKeyHHFOOWPWAXNJNY-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.40
Rot. Bonds3

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

[2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]methanol (PubChem CID 10105) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is [2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]methanol
PubChem CID10105
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name[2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]methanol
SMILESCC(C)C1(C(C)C)OCC(CO)O1
InChIInChI=1S/C10H20O3/c1-7(2)10(8(3)4)12-6-9(5-11)13-10/h7-9,11H,5-6H2,1-4H3
InChIKeyHHFOOWPWAXNJNY-UHFFFAOYSA-N
XLogP1.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Isobutyl-2-methyl-1,3-dioxolane-4-methanol
CID 21869
4-Hydroxymethyl-2-(2-methylpropyl)-1,3-dioxolane
CID 71587178
2-Methyl-2-propyl-1,3-dioxolane-4-methanol
CID 20372
2,2-Diethyl-1,3-dioxolane-4-methanol
CID 21902
1,3-Dioxolane-4-methanol, 2,2-diisobutyl-
CID 21903
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
(2-tert-Butyl-2-methyl-1,3-dioxolan-4-yl)methanol
CID 45917
1,3-Dioxolane-4-methanol, 2-methyl-2-(methylpentyl)-
CID 45947
(S)-4-(2-Hydroxyethyl)-2,2-diisopropyl-1,3-dioxolane
CID 54467051
(2S,3S)-3-Methylbutan-1,2,4-triol 1,2-isopropylidene acetal
CID 11622376

Frequently Asked Questions

What is the IUPAC name of [2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]methanol (CID 10105) is [2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]methanol is CC(C)C1(C(C)C)OCC(CO)O1.
What is the InChIKey of [2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is HHFOOWPWAXNJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-7(2)10(8(3)4)12-6-9(5-11)13-10/h7-9,11H,5-6H2,1-4H3.
What are the key properties of [2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]methanol?
[2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 188.27 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 10105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).