(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methanol

C9H18O3 — CID 11816152

IUPAC(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methanol
SMILESCCC1(CO)COC(C)(C)OC1
InChIInChI=1S/C9H18O3/c1-4-9(5-10)6-11-8(2,3)12-7-9/h10H,4-7H2,1-3H3
InChIKeyRUUJECRHYIYRSH-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.16
Rot. Bonds2

About (5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methanol

(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methanol (PubChem CID 11816152) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is (5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methanol.

Molecular Properties

Compound Name(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methanol
PubChem CID11816152
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methanol
SMILESCCC1(CO)COC(C)(C)OC1
InChIInChI=1S/C9H18O3/c1-4-9(5-10)6-11-8(2,3)12-7-9/h10H,4-7H2,1-3H3
InChIKeyRUUJECRHYIYRSH-UHFFFAOYSA-N
XLogP1.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

Analyze (5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methanol?
The IUPAC name of (5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methanol (CID 11816152) is (5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methanol.
What is the SMILES notation for (5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methanol?
The canonical SMILES for (5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methanol is CCC1(CO)COC(C)(C)OC1.
What is the InChIKey of (5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methanol?
The InChIKey is RUUJECRHYIYRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-9(5-10)6-11-8(2,3)12-7-9/h10H,4-7H2,1-3H3.
What are the key properties of (5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methanol?
(5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methanol has a molecular weight of 174.24 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2,2-dimethyl-1,3-dioxan-5-yl)methanol is sourced from PubChem (CID 11816152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).