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

C10H20O3 — CID 71439187

IUPAC(2-methyl-2-pentan-2-yl-1,3-dioxolan-4-yl)methanol
SMILESCCCC(C)C1(C)OCC(CO)O1
InChIInChI=1S/C10H20O3/c1-4-5-8(2)10(3)12-7-9(6-11)13-10/h8-9,11H,4-7H2,1-3H3
InChIKeyNHRYCKNLCGBRIY-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.55
Rot. Bonds4

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

(2-methyl-2-pentan-2-yl-1,3-dioxolan-4-yl)methanol (PubChem CID 71439187) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2-methyl-2-pentan-2-yl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2-methyl-2-pentan-2-yl-1,3-dioxolan-4-yl)methanol
PubChem CID71439187
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(2-methyl-2-pentan-2-yl-1,3-dioxolan-4-yl)methanol
SMILESCCCC(C)C1(C)OCC(CO)O1
InChIInChI=1S/C10H20O3/c1-4-5-8(2)10(3)12-7-9(6-11)13-10/h8-9,11H,4-7H2,1-3H3
InChIKeyNHRYCKNLCGBRIY-UHFFFAOYSA-N
XLogP1.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.55
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
1,3-Dioxolane-4-methanol, 2-butyl-2-methyl-
CID 21899
1,3-Dioxolane-4-methanol, 2,2-diisobutyl-
CID 21903
2-(1-Ethylpentyl)-1,3-dioxolane-4-methanol
CID 21905
1,4-Dioxaspiro(4.4)nonane-2-methanol, 6-methyl-
CID 45283
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
2-[5-(1-Hydroxy-1-methylethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-propanol
CID 380759
1,3-Dioxolane-4-methanol, 2-t-butyl-2-isopropyl-
CID 21898
2-Cyclohexyl-2-methyl-1,3-dioxolane-4-methanol
CID 21900

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-pentan-2-yl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2-methyl-2-pentan-2-yl-1,3-dioxolan-4-yl)methanol (CID 71439187) is (2-methyl-2-pentan-2-yl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2-methyl-2-pentan-2-yl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2-methyl-2-pentan-2-yl-1,3-dioxolan-4-yl)methanol is CCCC(C)C1(C)OCC(CO)O1.
What is the InChIKey of (2-methyl-2-pentan-2-yl-1,3-dioxolan-4-yl)methanol?
The InChIKey is NHRYCKNLCGBRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-5-8(2)10(3)12-7-9(6-11)13-10/h8-9,11H,4-7H2,1-3H3.
What are the key properties of (2-methyl-2-pentan-2-yl-1,3-dioxolan-4-yl)methanol?
(2-methyl-2-pentan-2-yl-1,3-dioxolan-4-yl)methanol has a molecular weight of 188.27 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-pentan-2-yl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 71439187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).