CID 58450250

C7H14O — CID 58450250

IUPAC—
SMILES[CH]OC(C)C(C)(C)C
InChIInChI=1S/C7H14O/c1-6(8-5)7(2,3)4/h5-6H,1-4H3
InChIKeyVZAJYRKYPWNCGA-UHFFFAOYSA-N
MW114.19 g/mol
LogP2.11
Rot. Bonds1

About CID 58450250

CID 58450250 (PubChem CID 58450250) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol.

Molecular Properties

Compound NameCID 58450250
PubChem CID58450250
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name—
SMILES[CH]OC(C)C(C)(C)C
InChIInChI=1S/C7H14O/c1-6(8-5)7(2,3)4/h5-6H,1-4H3
InChIKeyVZAJYRKYPWNCGA-UHFFFAOYSA-N
XLogP2.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze CID 58450250 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 CID 58450250?
The IUPAC name of CID 58450250 (CID 58450250) is not available.
What is the SMILES notation for CID 58450250?
The canonical SMILES for CID 58450250 is [CH]OC(C)C(C)(C)C.
What is the InChIKey of CID 58450250?
The InChIKey is VZAJYRKYPWNCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-6(8-5)7(2,3)4/h5-6H,1-4H3.
What are the key properties of CID 58450250?
CID 58450250 has a molecular weight of 114.19 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450250 is sourced from PubChem (CID 58450250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).