2-(1,3-dioxolan-2-yl)-2-ethylbutan-1-ol

C9H18O3 — CID 15324208

IUPAC2-(1,3-dioxolan-2-yl)-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)C1OCCO1
InChIInChI=1S/C9H18O3/c1-3-9(4-2,7-10)8-11-5-6-12-8/h8,10H,3-7H2,1-2H3
InChIKeyWRXCJYYDJTYQOL-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.16
Rot. Bonds4

About 2-(1,3-dioxolan-2-yl)-2-ethylbutan-1-ol

2-(1,3-dioxolan-2-yl)-2-ethylbutan-1-ol (PubChem CID 15324208) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-2-ethylbutan-1-ol
PubChem CID15324208
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-(1,3-dioxolan-2-yl)-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)C1OCCO1
InChIInChI=1S/C9H18O3/c1-3-9(4-2,7-10)8-11-5-6-12-8/h8,10H,3-7H2,1-2H3
InChIKeyWRXCJYYDJTYQOL-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-2-ethylbutan-1-ol?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-2-ethylbutan-1-ol (CID 15324208) is 2-(1,3-dioxolan-2-yl)-2-ethylbutan-1-ol.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-2-ethylbutan-1-ol?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-2-ethylbutan-1-ol is CCC(CC)(CO)C1OCCO1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-2-ethylbutan-1-ol?
The InChIKey is WRXCJYYDJTYQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-3-9(4-2,7-10)8-11-5-6-12-8/h8,10H,3-7H2,1-2H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)-2-ethylbutan-1-ol?
2-(1,3-dioxolan-2-yl)-2-ethylbutan-1-ol has a molecular weight of 174.24 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-2-ethylbutan-1-ol is sourced from PubChem (CID 15324208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).