methoxycyclopentane;dihydrate

C6H16O3 — CID 159895201

IUPACmethoxycyclopentane;dihydrate
SMILESCOC1CCCC1.O.O
InChIInChI=1S/C6H12O.2H2O/c1-7-6-4-2-3-5-6;;/h6H,2-5H2,1H3;2*1H2
InChIKeyNVGFMBBWJYUHBV-UHFFFAOYSA-N
MW136.19 g/mol
LogP-0.07
Rot. Bonds1

About methoxycyclopentane;dihydrate

methoxycyclopentane;dihydrate (PubChem CID 159895201) has the molecular formula C6H16O3 and a molecular weight of 136.19 g/mol. Its IUPAC name is methoxycyclopentane;dihydrate.

Molecular Properties

Compound Namemethoxycyclopentane;dihydrate
PubChem CID159895201
Molecular FormulaC6H16O3
Molecular Weight136.19 g/mol
Exact Mass136.11
IUPAC Namemethoxycyclopentane;dihydrate
SMILESCOC1CCCC1.O.O
InChIInChI=1S/C6H12O.2H2O/c1-7-6-4-2-3-5-6;;/h6H,2-5H2,1H3;2*1H2
InChIKeyNVGFMBBWJYUHBV-UHFFFAOYSA-N
XLogP-0.07
TPSA72.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze methoxycyclopentane;dihydrate 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 methoxycyclopentane;dihydrate?
The IUPAC name of methoxycyclopentane;dihydrate (CID 159895201) is methoxycyclopentane;dihydrate.
What is the SMILES notation for methoxycyclopentane;dihydrate?
The canonical SMILES for methoxycyclopentane;dihydrate is COC1CCCC1.O.O.
What is the InChIKey of methoxycyclopentane;dihydrate?
The InChIKey is NVGFMBBWJYUHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.2H2O/c1-7-6-4-2-3-5-6;;/h6H,2-5H2,1H3;2*1H2.
What are the key properties of methoxycyclopentane;dihydrate?
methoxycyclopentane;dihydrate has a molecular weight of 136.19 g/mol, XLogP of -0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxycyclopentane;dihydrate is sourced from PubChem (CID 159895201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).