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

C11H22O3 — CID 21904

IUPAC[2-ethyl-2-(3-methylbutyl)-1,3-dioxolan-4-yl]methanol
SMILESCCC1(CCC(C)C)OCC(CO)O1
InChIInChI=1S/C11H22O3/c1-4-11(6-5-9(2)3)13-8-10(7-12)14-11/h9-10,12H,4-8H2,1-3H3
InChIKeyHNGJBTVYNSPFPZ-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.94
Rot. Bonds5

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

[2-ethyl-2-(3-methylbutyl)-1,3-dioxolan-4-yl]methanol (PubChem CID 21904) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is [2-ethyl-2-(3-methylbutyl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-ethyl-2-(3-methylbutyl)-1,3-dioxolan-4-yl]methanol
PubChem CID21904
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name[2-ethyl-2-(3-methylbutyl)-1,3-dioxolan-4-yl]methanol
SMILESCCC1(CCC(C)C)OCC(CO)O1
InChIInChI=1S/C11H22O3/c1-4-11(6-5-9(2)3)13-8-10(7-12)14-11/h9-10,12H,4-8H2,1-3H3
InChIKeyHNGJBTVYNSPFPZ-UHFFFAOYSA-N
XLogP1.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.94
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-Methyl-2-pentyl-1,3-dioxolane-4-methanol
CID 20370
(2-Butyl-2-ethyl-1,3-dioxolan-4-yl)methanol
CID 21897
1,3-Dioxolane-4-methanol, 2-butyl-2-methyl-
CID 21899
(2,2-Dibutyl-1,3-dioxolan-4-yl)methanol
CID 21901
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
(2-Ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol
CID 21980
3-Furanol, tetrahydro-5,5-dimethyl-2-ethyl-
CID 34716
1,4-Dioxaspiro(4.4)nonane-2-methanol, 6-methyl-
CID 45283

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-2-(3-methylbutyl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-ethyl-2-(3-methylbutyl)-1,3-dioxolan-4-yl]methanol (CID 21904) is [2-ethyl-2-(3-methylbutyl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-ethyl-2-(3-methylbutyl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-ethyl-2-(3-methylbutyl)-1,3-dioxolan-4-yl]methanol is CCC1(CCC(C)C)OCC(CO)O1.
What is the InChIKey of [2-ethyl-2-(3-methylbutyl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is HNGJBTVYNSPFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-4-11(6-5-9(2)3)13-8-10(7-12)14-11/h9-10,12H,4-8H2,1-3H3.
What are the key properties of [2-ethyl-2-(3-methylbutyl)-1,3-dioxolan-4-yl]methanol?
[2-ethyl-2-(3-methylbutyl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 202.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-2-(3-methylbutyl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 21904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).