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

C12H24O3 — CID 21903

IUPAC[2,2-bis(2-methylpropyl)-1,3-dioxolan-4-yl]methanol
SMILESCC(C)CC1(CC(C)C)OCC(CO)O1
InChIInChI=1S/C12H24O3/c1-9(2)5-12(6-10(3)4)14-8-11(7-13)15-12/h9-11,13H,5-8H2,1-4H3
InChIKeyFKXRTSJSCQXMBP-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.18
Rot. Bonds5

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

[2,2-bis(2-methylpropyl)-1,3-dioxolan-4-yl]methanol (PubChem CID 21903) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is [2,2-bis(2-methylpropyl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2,2-bis(2-methylpropyl)-1,3-dioxolan-4-yl]methanol
PubChem CID21903
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name[2,2-bis(2-methylpropyl)-1,3-dioxolan-4-yl]methanol
SMILESCC(C)CC1(CC(C)C)OCC(CO)O1
InChIInChI=1S/C12H24O3/c1-9(2)5-12(6-10(3)4)14-8-11(7-13)15-12/h9-11,13H,5-8H2,1-4H3
InChIKeyFKXRTSJSCQXMBP-UHFFFAOYSA-N
XLogP2.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.18
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-2-methyl-1,3-dioxolane-4-methanol
CID 21869
(2-Butyl-2-ethyl-1,3-dioxolan-4-yl)methanol
CID 21897
2-(1-Ethylpentyl)-1,3-dioxolane-4-methanol
CID 21905
(2,2-Dipropyl-1,3-dioxolan-4-yl)methanol
CID 21979
1,3-Dioxolane-4-methanol, 2-methyl-2-s-pentyl-
CID 45919
2-(2-Methyl-1,3-dioxolan-2-yl)hexan-1-ol
CID 110694
1,3-Dioxolane-4-methanol, 2-t-butyl-2-isopropyl-
CID 21898
1,3-Dioxolane-4-methanol, 2-ethyl-2-isopentyl-
CID 21904
1,3-Dioxolane-4-methanol, 2-methyl-2-(methylpentyl)-
CID 45947
(S)-4-(2-Hydroxyethyl)-2,2-diisopropyl-1,3-dioxolane
CID 54467051
(R)-4-(2-Hydroxyethyl)-2,2-diisopropyl-1,3-dioxolane
CID 56973691

Frequently Asked Questions

What is the IUPAC name of [2,2-bis(2-methylpropyl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2,2-bis(2-methylpropyl)-1,3-dioxolan-4-yl]methanol (CID 21903) is [2,2-bis(2-methylpropyl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2,2-bis(2-methylpropyl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2,2-bis(2-methylpropyl)-1,3-dioxolan-4-yl]methanol is CC(C)CC1(CC(C)C)OCC(CO)O1.
What is the InChIKey of [2,2-bis(2-methylpropyl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is FKXRTSJSCQXMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-9(2)5-12(6-10(3)4)14-8-11(7-13)15-12/h9-11,13H,5-8H2,1-4H3.
What are the key properties of [2,2-bis(2-methylpropyl)-1,3-dioxolan-4-yl]methanol?
[2,2-bis(2-methylpropyl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 216.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis(2-methylpropyl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 21903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).