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

C9H18O3 — CID 21899

IUPAC(2-butyl-2-methyl-1,3-dioxolan-4-yl)methanol
SMILESCCCCC1(C)OCC(CO)O1
InChIInChI=1S/C9H18O3/c1-3-4-5-9(2)11-7-8(6-10)12-9/h8,10H,3-7H2,1-2H3
InChIKeyZQWSMVNUPDUGRL-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.30
Rot. Bonds4

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

(2-butyl-2-methyl-1,3-dioxolan-4-yl)methanol (PubChem CID 21899) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2-butyl-2-methyl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2-butyl-2-methyl-1,3-dioxolan-4-yl)methanol
PubChem CID21899
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(2-butyl-2-methyl-1,3-dioxolan-4-yl)methanol
SMILESCCCCC1(C)OCC(CO)O1
InChIInChI=1S/C9H18O3/c1-3-4-5-9(2)11-7-8(6-10)12-9/h8,10H,3-7H2,1-2H3
InChIKeyZQWSMVNUPDUGRL-UHFFFAOYSA-N
XLogP1.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-butyl-2-methyl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2-butyl-2-methyl-1,3-dioxolan-4-yl)methanol (CID 21899) is (2-butyl-2-methyl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2-butyl-2-methyl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2-butyl-2-methyl-1,3-dioxolan-4-yl)methanol is CCCCC1(C)OCC(CO)O1.
What is the InChIKey of (2-butyl-2-methyl-1,3-dioxolan-4-yl)methanol?
The InChIKey is ZQWSMVNUPDUGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-3-4-5-9(2)11-7-8(6-10)12-9/h8,10H,3-7H2,1-2H3.
What are the key properties of (2-butyl-2-methyl-1,3-dioxolan-4-yl)methanol?
(2-butyl-2-methyl-1,3-dioxolan-4-yl)methanol has a molecular weight of 174.24 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-2-methyl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 21899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).