1-(3-methoxypropyl)-3-propan-2-ylcyclobutan-1-ol

C11H22O2 — CID 103564186

IUPAC1-(3-methoxypropyl)-3-propan-2-ylcyclobutan-1-ol
SMILESCOCCCC1(O)CC(C(C)C)C1
InChIInChI=1S/C11H22O2/c1-9(2)10-7-11(12,8-10)5-4-6-13-3/h9-10,12H,4-8H2,1-3H3
InChIKeyNNAQRTQHSBFBSH-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.21
Rot. Bonds5

About 1-(3-methoxypropyl)-3-propan-2-ylcyclobutan-1-ol

1-(3-methoxypropyl)-3-propan-2-ylcyclobutan-1-ol (PubChem CID 103564186) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-propan-2-ylcyclobutan-1-ol.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-propan-2-ylcyclobutan-1-ol
PubChem CID103564186
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name1-(3-methoxypropyl)-3-propan-2-ylcyclobutan-1-ol
SMILESCOCCCC1(O)CC(C(C)C)C1
InChIInChI=1S/C11H22O2/c1-9(2)10-7-11(12,8-10)5-4-6-13-3/h9-10,12H,4-8H2,1-3H3
InChIKeyNNAQRTQHSBFBSH-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-methoxypropyl)-3-propan-2-ylcyclobutan-1-ol 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

1-(2-aminoethyl)-3-propan-2-ylcyclobutan-1-ol
CID 103565540
3-(4-methoxybutyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171952054
3-(3-methoxypropyl)-9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171952719
3-ethyl-1-(3-methoxypropyl)cyclohexan-1-ol
CID 114852220
1-(cyclohexylmethyl)-3-propan-2-ylcyclobutan-1-ol
CID 103563992
1-(3-ethylsulfonylpropyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449692
4-methoxy-N-methyl-N-(4-propan-2-ylcyclohexyl)butanamide
CID 58394583
1-[1-(3-methoxypropyl)cyclopropyl]ethanamine
CID 106797370
1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-3-propan-2-ylcyclobutan-1-amine
CID 103562700
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-2-amine
CID 66024015
1-ethyl-4-(3-methoxypropyl)azepan-4-ol
CID 114852274
2-(4-methoxybutyl)-4-propan-2-ylcyclohexan-1-ol
CID 104649029

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-propan-2-ylcyclobutan-1-ol?
The IUPAC name of 1-(3-methoxypropyl)-3-propan-2-ylcyclobutan-1-ol (CID 103564186) is 1-(3-methoxypropyl)-3-propan-2-ylcyclobutan-1-ol.
What is the SMILES notation for 1-(3-methoxypropyl)-3-propan-2-ylcyclobutan-1-ol?
The canonical SMILES for 1-(3-methoxypropyl)-3-propan-2-ylcyclobutan-1-ol is COCCCC1(O)CC(C(C)C)C1.
What is the InChIKey of 1-(3-methoxypropyl)-3-propan-2-ylcyclobutan-1-ol?
The InChIKey is NNAQRTQHSBFBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-9(2)10-7-11(12,8-10)5-4-6-13-3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 1-(3-methoxypropyl)-3-propan-2-ylcyclobutan-1-ol?
1-(3-methoxypropyl)-3-propan-2-ylcyclobutan-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-propan-2-ylcyclobutan-1-ol is sourced from PubChem (CID 103564186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).