(2,2-dipropyl-1,3-dioxolan-4-yl)methanol

C10H20O3 — CID 21979

IUPAC(2,2-dipropyl-1,3-dioxolan-4-yl)methanol
SMILESCCCC1(CCC)OCC(CO)O1
InChIInChI=1S/C10H20O3/c1-3-5-10(6-4-2)12-8-9(7-11)13-10/h9,11H,3-8H2,1-2H3
InChIKeyDLXVEXDYUBEOPD-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.69
Rot. Bonds5

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

(2,2-dipropyl-1,3-dioxolan-4-yl)methanol (PubChem CID 21979) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2,2-dipropyl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2,2-dipropyl-1,3-dioxolan-4-yl)methanol
PubChem CID21979
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(2,2-dipropyl-1,3-dioxolan-4-yl)methanol
SMILESCCCC1(CCC)OCC(CO)O1
InChIInChI=1S/C10H20O3/c1-3-5-10(6-4-2)12-8-9(7-11)13-10/h9,11H,3-8H2,1-2H3
InChIKeyDLXVEXDYUBEOPD-UHFFFAOYSA-N
XLogP1.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Heptanal 1,2-glyceryl acetal
CID 15571
2-Isobutyl-2-methyl-1,3-dioxolane-4-methanol
CID 21869
(1,4-Dioxaspiro(4.5)decan-2-yl)methanol
CID 20128
2,2-Diethyl-1,3-dioxolane-4-methanol
CID 21902
2-Methyl-2-pentyl-1,3-dioxolane-4-methanol
CID 20370
2-Methyl-2-propyl-1,3-dioxolane-4-methanol
CID 20372
1,3-Dioxolane-4-methanol, 2-heptyl-2-methyl-
CID 21867
(2-Hexyl-2-methyl-1,3-dioxolan-4-yl)methanol
CID 21868
(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

Frequently Asked Questions

What is the IUPAC name of (2,2-dipropyl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2,2-dipropyl-1,3-dioxolan-4-yl)methanol (CID 21979) is (2,2-dipropyl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2,2-dipropyl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2,2-dipropyl-1,3-dioxolan-4-yl)methanol is CCCC1(CCC)OCC(CO)O1.
What is the InChIKey of (2,2-dipropyl-1,3-dioxolan-4-yl)methanol?
The InChIKey is DLXVEXDYUBEOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-5-10(6-4-2)12-8-9(7-11)13-10/h9,11H,3-8H2,1-2H3.
What are the key properties of (2,2-dipropyl-1,3-dioxolan-4-yl)methanol?
(2,2-dipropyl-1,3-dioxolan-4-yl)methanol has a molecular weight of 188.27 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dipropyl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 21979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).