CID 58450362

C7H12O2 — CID 58450362

IUPAC—
SMILES[CH]OCC1CCOCC1
InChIInChI=1S/C7H12O2/c1-8-6-7-2-4-9-5-3-7/h1,7H,2-6H2
InChIKeyNYCVQKOKXLZQRQ-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.10
Rot. Bonds2

About CID 58450362

CID 58450362 (PubChem CID 58450362) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol.

Molecular Properties

Compound NameCID 58450362
PubChem CID58450362
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name—
SMILES[CH]OCC1CCOCC1
InChIInChI=1S/C7H12O2/c1-8-6-7-2-4-9-5-3-7/h1,7H,2-6H2
InChIKeyNYCVQKOKXLZQRQ-UHFFFAOYSA-N
XLogP1.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 58450362 with MolForge

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

Launch Full Analysis

Related Compounds

4-(chloromethoxymethyl)oxane
CID 79530199
oxan-4-ylmethyl carbamate
CID 134587773
oxan-4-ylmethyl oxane-4-carboxylate
CID 67654592
oxan-4-ylmethylhydrazine
CID 53415127
N-methyl-1-(oxan-4-yl)methanamine
CID 22225668
oxan-4-ylmethanol
CID 2773573
3-(oxan-4-ylmethoxy)cyclopentan-1-amine
CID 79458329
3-(oxan-4-ylmethoxy)cyclobutan-1-one
CID 66369304
4-(5-chloropentoxymethyl)oxane
CID 62382987
4-[(1-bromo-2-methylpropan-2-yl)oxymethyl]oxane
CID 114774046
3-(oxan-4-ylmethoxy)butan-2-amine
CID 62382238
2,2-dimethyl-3-(oxan-4-ylmethoxy)propan-1-amine
CID 79627779

Frequently Asked Questions

What is the IUPAC name of CID 58450362?
The IUPAC name of CID 58450362 (CID 58450362) is not available.
What is the SMILES notation for CID 58450362?
The canonical SMILES for CID 58450362 is [CH]OCC1CCOCC1.
What is the InChIKey of CID 58450362?
The InChIKey is NYCVQKOKXLZQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-8-6-7-2-4-9-5-3-7/h1,7H,2-6H2.
What are the key properties of CID 58450362?
CID 58450362 has a molecular weight of 128.17 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450362 is sourced from PubChem (CID 58450362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).