3-methylbutoxymethylcyclobutane

C10H20O — CID 66602657

IUPAC3-methylbutoxymethylcyclobutane
SMILESCC(C)CCOCC1CCC1
InChIInChI=1S/C10H20O/c1-9(2)6-7-11-8-10-4-3-5-10/h9-10H,3-8H2,1-2H3
InChIKeyPSKDNVLCOUXCRC-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.85
Rot. Bonds5

About 3-methylbutoxymethylcyclobutane

3-methylbutoxymethylcyclobutane (PubChem CID 66602657) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-methylbutoxymethylcyclobutane.

Molecular Properties

Compound Name3-methylbutoxymethylcyclobutane
PubChem CID66602657
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name3-methylbutoxymethylcyclobutane
SMILESCC(C)CCOCC1CCC1
InChIInChI=1S/C10H20O/c1-9(2)6-7-11-8-10-4-3-5-10/h9-10H,3-8H2,1-2H3
InChIKeyPSKDNVLCOUXCRC-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-methylbutoxymethylcyclobutane 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

3-methylbutoxymethylcyclopropane
CID 58970607
(3R)-3-(3-methylbutoxymethyl)piperidine
CID 26190551
1-(3-methylbutoxymethyl)-4-propan-2-yloxycyclohexane
CID 178085895
N-[2-(cyclohexylmethoxy)ethyl]-3-methylbutan-1-amine
CID 62582719
N-[2-(cyclobutylmethoxy)ethyl]propan-2-amine
CID 65458090
4-(cyclopentylmethoxy)-2-(propan-2-ylamino)butan-1-ol
CID 66324433
6-(cyclohexylmethoxy)hexan-2-amine
CID 62382043
5-(cyclohexylmethoxy)-N-methylpentan-2-amine
CID 62382044
N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine
CID 61483668
(2S)-2-amino-4-(cyclobutylmethoxy)butanoic acid
CID 165445623
3-(cyclohexylmethoxy)-N-propan-2-ylpropan-1-amine
CID 62343201
2-(cyclooctylmethoxy)ethyl-tri(propan-2-yl)silane
CID 70179025

Frequently Asked Questions

What is the IUPAC name of 3-methylbutoxymethylcyclobutane?
The IUPAC name of 3-methylbutoxymethylcyclobutane (CID 66602657) is 3-methylbutoxymethylcyclobutane.
What is the SMILES notation for 3-methylbutoxymethylcyclobutane?
The canonical SMILES for 3-methylbutoxymethylcyclobutane is CC(C)CCOCC1CCC1.
What is the InChIKey of 3-methylbutoxymethylcyclobutane?
The InChIKey is PSKDNVLCOUXCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-9(2)6-7-11-8-10-4-3-5-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-methylbutoxymethylcyclobutane?
3-methylbutoxymethylcyclobutane has a molecular weight of 156.27 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutoxymethylcyclobutane is sourced from PubChem (CID 66602657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).