2,2-dimethylcyclooctane-1,1-diol

C10H20O2 — CID 90109064

IUPAC2,2-dimethylcyclooctane-1,1-diol
SMILESCC1(C)CCCCCCC1(O)O
InChIInChI=1S/C10H20O2/c1-9(2)7-5-3-4-6-8-10(9,11)12/h11-12H,3-8H2,1-2H3
InChIKeyNUADGJYWYRQITI-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.05
Rot. Bonds

About 2,2-dimethylcyclooctane-1,1-diol

2,2-dimethylcyclooctane-1,1-diol (PubChem CID 90109064) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2,2-dimethylcyclooctane-1,1-diol.

Molecular Properties

Compound Name2,2-dimethylcyclooctane-1,1-diol
PubChem CID90109064
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2,2-dimethylcyclooctane-1,1-diol
SMILESCC1(C)CCCCCCC1(O)O
InChIInChI=1S/C10H20O2/c1-9(2)7-5-3-4-6-8-10(9,11)12/h11-12H,3-8H2,1-2H3
InChIKeyNUADGJYWYRQITI-UHFFFAOYSA-N
XLogP2.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,2-dimethylcyclooctane-1,1-diol 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 2,2-dimethylcyclooctane-1,1-diol?
The IUPAC name of 2,2-dimethylcyclooctane-1,1-diol (CID 90109064) is 2,2-dimethylcyclooctane-1,1-diol.
What is the SMILES notation for 2,2-dimethylcyclooctane-1,1-diol?
The canonical SMILES for 2,2-dimethylcyclooctane-1,1-diol is CC1(C)CCCCCCC1(O)O.
What is the InChIKey of 2,2-dimethylcyclooctane-1,1-diol?
The InChIKey is NUADGJYWYRQITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2)7-5-3-4-6-8-10(9,11)12/h11-12H,3-8H2,1-2H3.
What are the key properties of 2,2-dimethylcyclooctane-1,1-diol?
2,2-dimethylcyclooctane-1,1-diol has a molecular weight of 172.27 g/mol, XLogP of 2.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylcyclooctane-1,1-diol is sourced from PubChem (CID 90109064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).