(3-ethyl-5,5-dimethyloxolan-3-yl)methanol

C9H18O2 — CID 15365933

IUPAC(3-ethyl-5,5-dimethyloxolan-3-yl)methanol
SMILESCCC1(CO)COC(C)(C)C1
InChIInChI=1S/C9H18O2/c1-4-9(6-10)5-8(2,3)11-7-9/h10H,4-7H2,1-3H3
InChIKeyMFGGBIDGDZMXBL-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.57
Rot. Bonds2

About (3-ethyl-5,5-dimethyloxolan-3-yl)methanol

(3-ethyl-5,5-dimethyloxolan-3-yl)methanol (PubChem CID 15365933) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (3-ethyl-5,5-dimethyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(3-ethyl-5,5-dimethyloxolan-3-yl)methanol
PubChem CID15365933
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(3-ethyl-5,5-dimethyloxolan-3-yl)methanol
SMILESCCC1(CO)COC(C)(C)C1
InChIInChI=1S/C9H18O2/c1-4-9(6-10)5-8(2,3)11-7-9/h10H,4-7H2,1-3H3
InChIKeyMFGGBIDGDZMXBL-UHFFFAOYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-ethyl-5,5-dimethyloxolan-3-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 (3-ethyl-5,5-dimethyloxolan-3-yl)methanol?
The IUPAC name of (3-ethyl-5,5-dimethyloxolan-3-yl)methanol (CID 15365933) is (3-ethyl-5,5-dimethyloxolan-3-yl)methanol.
What is the SMILES notation for (3-ethyl-5,5-dimethyloxolan-3-yl)methanol?
The canonical SMILES for (3-ethyl-5,5-dimethyloxolan-3-yl)methanol is CCC1(CO)COC(C)(C)C1.
What is the InChIKey of (3-ethyl-5,5-dimethyloxolan-3-yl)methanol?
The InChIKey is MFGGBIDGDZMXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-9(6-10)5-8(2,3)11-7-9/h10H,4-7H2,1-3H3.
What are the key properties of (3-ethyl-5,5-dimethyloxolan-3-yl)methanol?
(3-ethyl-5,5-dimethyloxolan-3-yl)methanol has a molecular weight of 158.24 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5,5-dimethyloxolan-3-yl)methanol is sourced from PubChem (CID 15365933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).