3,11-dibutoxydispiro[5.1.58.16]tetradecane

C22H40O2 — CID 18633571

IUPAC3,11-dibutoxydispiro[5.1.58.16]tetradecane
SMILESCCCCOC1CCC2(CC1)CC1(CCC(OCCCC)CC1)C2
InChIInChI=1S/C22H40O2/c1-3-5-15-23-19-7-11-21(12-8-19)17-22(18-21)13-9-20(10-14-22)24-16-6-4-2/h19-20H,3-18H2,1-2H3
InChIKeyJXKDPRBEYAZBPT-UHFFFAOYSA-N
MW336.56 g/mol
LogP6.27
Rot. Bonds8

About 3,11-dibutoxydispiro[5.1.58.16]tetradecane

3,11-dibutoxydispiro[5.1.58.16]tetradecane (PubChem CID 18633571) has the molecular formula C22H40O2 and a molecular weight of 336.56 g/mol. Its IUPAC name is 3,11-dibutoxydispiro[5.1.58.16]tetradecane.

Molecular Properties

Compound Name3,11-dibutoxydispiro[5.1.58.16]tetradecane
PubChem CID18633571
Molecular FormulaC22H40O2
Molecular Weight336.56 g/mol
Exact Mass336.30
IUPAC Name3,11-dibutoxydispiro[5.1.58.16]tetradecane
SMILESCCCCOC1CCC2(CC1)CC1(CCC(OCCCC)CC1)C2
InChIInChI=1S/C22H40O2/c1-3-5-15-23-19-7-11-21(12-8-19)17-22(18-21)13-9-20(10-14-22)24-16-6-4-2/h19-20H,3-18H2,1-2H3
InChIKeyJXKDPRBEYAZBPT-UHFFFAOYSA-N
XLogP6.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,11-dibutoxydispiro[5.1.58.16]tetradecane 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

3,11-Dibutoxy-14-fluorodispiro[5.1.58.16]tetradecane
CID 70426384
14-Fluoro-3,11-dimethoxydispiro[5.1.58.16]tetradecane
CID 70426403
14-Fluoro-3,11-dihexoxydispiro[5.1.58.16]tetradecane
CID 70426450
14-Fluoro-3,11-diheptoxydispiro[5.1.58.16]tetradecane
CID 70426476
3,11-Diethoxy-14-fluorodispiro[5.1.58.16]tetradecane
CID 70427075
14-Fluoro-3,11-dipentoxydispiro[5.1.58.16]tetradecane
CID 70427106
1-Tert-butyl-4-(4-tert-butylcyclohexyl)oxycyclohexane
CID 13843566
1-Propyl-1-[(4-propylcyclohexyl)oxymethyl]cyclohexane
CID 17985959
3,11-Dibutoxy-14,14-dichlorodispiro[5.1.58.16]tetradecane
CID 18633568
3,11-Didecoxydispiro[5.1.58.16]tetradecane
CID 18633581
3,11-Diethoxydispiro[5.1.58.16]tetradecane
CID 18633591
14,14-Dichloro-3,11-diheptoxydispiro[5.1.58.16]tetradecane
CID 18633598

Frequently Asked Questions

What is the IUPAC name of 3,11-dibutoxydispiro[5.1.58.16]tetradecane?
The IUPAC name of 3,11-dibutoxydispiro[5.1.58.16]tetradecane (CID 18633571) is 3,11-dibutoxydispiro[5.1.58.16]tetradecane.
What is the SMILES notation for 3,11-dibutoxydispiro[5.1.58.16]tetradecane?
The canonical SMILES for 3,11-dibutoxydispiro[5.1.58.16]tetradecane is CCCCOC1CCC2(CC1)CC1(CCC(OCCCC)CC1)C2.
What is the InChIKey of 3,11-dibutoxydispiro[5.1.58.16]tetradecane?
The InChIKey is JXKDPRBEYAZBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2/c1-3-5-15-23-19-7-11-21(12-8-19)17-22(18-21)13-9-20(10-14-22)24-16-6-4-2/h19-20H,3-18H2,1-2H3.
What are the key properties of 3,11-dibutoxydispiro[5.1.58.16]tetradecane?
3,11-dibutoxydispiro[5.1.58.16]tetradecane has a molecular weight of 336.56 g/mol, XLogP of 6.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11-dibutoxydispiro[5.1.58.16]tetradecane is sourced from PubChem (CID 18633571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).