3-[2-(3-methoxypropoxy)ethoxy]-2,2-dimethylcyclobutan-1-ol

C12H24O4 — CID 103176134

IUPAC3-[2-(3-methoxypropoxy)ethoxy]-2,2-dimethylcyclobutan-1-ol
SMILESCOCCCOCCOC1CC(O)C1(C)C
InChIInChI=1S/C12H24O4/c1-12(2)10(13)9-11(12)16-8-7-15-6-4-5-14-3/h10-11,13H,4-9H2,1-3H3
InChIKeyNPNDPSHBYSXRFT-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.22
Rot. Bonds8

About 3-[2-(3-methoxypropoxy)ethoxy]-2,2-dimethylcyclobutan-1-ol

3-[2-(3-methoxypropoxy)ethoxy]-2,2-dimethylcyclobutan-1-ol (PubChem CID 103176134) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-[2-(3-methoxypropoxy)ethoxy]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-(3-methoxypropoxy)ethoxy]-2,2-dimethylcyclobutan-1-ol
PubChem CID103176134
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name3-[2-(3-methoxypropoxy)ethoxy]-2,2-dimethylcyclobutan-1-ol
SMILESCOCCCOCCOC1CC(O)C1(C)C
InChIInChI=1S/C12H24O4/c1-12(2)10(13)9-11(12)16-8-7-15-6-4-5-14-3/h10-11,13H,4-9H2,1-3H3
InChIKeyNPNDPSHBYSXRFT-UHFFFAOYSA-N
XLogP1.22
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-methoxypropoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 103179563
2-bromo-4-[2-(2-methoxyethoxy)ethoxy]-1,1-dimethylcyclobutane
CID 104567999
N-ethyl-3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylcyclobutan-1-amine
CID 103408066
cis-(1S,3R)-3-ethoxy-2,2-dimethylcyclobutan-1-ol
CID 95240890
2-methoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-ol
CID 103176139
3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 103408104
3-chloro-1-[2-(3-methoxypropoxy)ethoxy]spiro[3.6]decane
CID 103176169
3-(3-methoxypropoxy)-N,2,2-trimethylcyclobutan-1-amine
CID 66352640
2-chloro-1-ethyl-4-[3-(2-methoxyethoxy)propoxy]-1-methylcyclobutane
CID 103408040
3-[2-(3-methoxypropoxy)ethoxy]-N-methylspiro[3.6]decan-1-amine
CID 103176206
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
2,2-diethyl-3-[3-(2-methoxyethoxy)propoxy]cyclobutan-1-amine
CID 103408108

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxypropoxy)ethoxy]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[2-(3-methoxypropoxy)ethoxy]-2,2-dimethylcyclobutan-1-ol (CID 103176134) is 3-[2-(3-methoxypropoxy)ethoxy]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[2-(3-methoxypropoxy)ethoxy]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[2-(3-methoxypropoxy)ethoxy]-2,2-dimethylcyclobutan-1-ol is COCCCOCCOC1CC(O)C1(C)C.
What is the InChIKey of 3-[2-(3-methoxypropoxy)ethoxy]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is NPNDPSHBYSXRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-12(2)10(13)9-11(12)16-8-7-15-6-4-5-14-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 3-[2-(3-methoxypropoxy)ethoxy]-2,2-dimethylcyclobutan-1-ol?
3-[2-(3-methoxypropoxy)ethoxy]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 232.32 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxypropoxy)ethoxy]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 103176134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).