2-(6,6-dimethyloxan-2-yl)ethanol

C9H18O2 — CID 178199935

IUPAC2-(6,6-dimethyloxan-2-yl)ethanol
SMILESCC1(C)CCCC(CCO)O1
InChIInChI=1S/C9H18O2/c1-9(2)6-3-4-8(11-9)5-7-10/h8,10H,3-7H2,1-2H3
InChIKeyPPQRZLMIVXOERZ-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.72
Rot. Bonds2

About 2-(6,6-dimethyloxan-2-yl)ethanol

2-(6,6-dimethyloxan-2-yl)ethanol (PubChem CID 178199935) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(6,6-dimethyloxan-2-yl)ethanol.

Molecular Properties

Compound Name2-(6,6-dimethyloxan-2-yl)ethanol
PubChem CID178199935
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-(6,6-dimethyloxan-2-yl)ethanol
SMILESCC1(C)CCCC(CCO)O1
InChIInChI=1S/C9H18O2/c1-9(2)6-3-4-8(11-9)5-7-10/h8,10H,3-7H2,1-2H3
InChIKeyPPQRZLMIVXOERZ-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(6,6-dimethyloxan-2-yl)ethanol 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 2-(6,6-dimethyloxan-2-yl)ethanol?
The IUPAC name of 2-(6,6-dimethyloxan-2-yl)ethanol (CID 178199935) is 2-(6,6-dimethyloxan-2-yl)ethanol.
What is the SMILES notation for 2-(6,6-dimethyloxan-2-yl)ethanol?
The canonical SMILES for 2-(6,6-dimethyloxan-2-yl)ethanol is CC1(C)CCCC(CCO)O1.
What is the InChIKey of 2-(6,6-dimethyloxan-2-yl)ethanol?
The InChIKey is PPQRZLMIVXOERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-9(2)6-3-4-8(11-9)5-7-10/h8,10H,3-7H2,1-2H3.
What are the key properties of 2-(6,6-dimethyloxan-2-yl)ethanol?
2-(6,6-dimethyloxan-2-yl)ethanol has a molecular weight of 158.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethyloxan-2-yl)ethanol is sourced from PubChem (CID 178199935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).