3,11-didecoxydispiro[5.1.58.16]tetradecane

C34H64O2 — CID 18633581

IUPAC3,11-didecoxydispiro[5.1.58.16]tetradecane
SMILESCCCCCCCCCCOC1CCC2(CC1)CC1(CCC(OCCCCCCCCCC)CC1)C2
InChIInChI=1S/C34H64O2/c1-3-5-7-9-11-13-15-17-27-35-31-19-23-33(24-20-31)29-34(30-33)25-21-32(22-26-34)36-28-18-16-14-12-10-8-6-4-2/h31-32H,3-30H2,1-2H3
InChIKeyGFLUYOXWDCUIRK-UHFFFAOYSA-N
MW504.88 g/mol
LogP10.95
Rot. Bonds20

About 3,11-didecoxydispiro[5.1.58.16]tetradecane

3,11-didecoxydispiro[5.1.58.16]tetradecane (PubChem CID 18633581) has the molecular formula C34H64O2 and a molecular weight of 504.88 g/mol. Its IUPAC name is 3,11-didecoxydispiro[5.1.58.16]tetradecane.

Molecular Properties

Compound Name3,11-didecoxydispiro[5.1.58.16]tetradecane
PubChem CID18633581
Molecular FormulaC34H64O2
Molecular Weight504.88 g/mol
Exact Mass504.49
IUPAC Name3,11-didecoxydispiro[5.1.58.16]tetradecane
SMILESCCCCCCCCCCOC1CCC2(CC1)CC1(CCC(OCCCCCCCCCC)CC1)C2
InChIInChI=1S/C34H64O2/c1-3-5-7-9-11-13-15-17-27-35-31-19-23-33(24-20-31)29-34(30-33)25-21-32(22-26-34)36-28-18-16-14-12-10-8-6-4-2/h31-32H,3-30H2,1-2H3
InChIKeyGFLUYOXWDCUIRK-UHFFFAOYSA-N
XLogP10.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.88
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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-Propyl-1-[(4-propylcyclohexyl)oxymethyl]cyclohexane
CID 17985959
3,11-Bis(4-decoxycyclohexyl)dispiro[5.1.58.16]tetradecane
CID 18633490
3,11-Bis(4-heptoxycyclohexyl)dispiro[5.1.58.16]tetradecane
CID 18633508
3,11-Bis(4-hexoxycyclohexyl)dispiro[5.1.58.16]tetradecane
CID 18633518
3,11-Bis(4-nonoxycyclohexyl)dispiro[5.1.58.16]tetradecane
CID 18633536
3,11-Bis(4-octoxycyclohexyl)dispiro[5.1.58.16]tetradecane
CID 18633546

Frequently Asked Questions

What is the IUPAC name of 3,11-didecoxydispiro[5.1.58.16]tetradecane?
The IUPAC name of 3,11-didecoxydispiro[5.1.58.16]tetradecane (CID 18633581) is 3,11-didecoxydispiro[5.1.58.16]tetradecane.
What is the SMILES notation for 3,11-didecoxydispiro[5.1.58.16]tetradecane?
The canonical SMILES for 3,11-didecoxydispiro[5.1.58.16]tetradecane is CCCCCCCCCCOC1CCC2(CC1)CC1(CCC(OCCCCCCCCCC)CC1)C2.
What is the InChIKey of 3,11-didecoxydispiro[5.1.58.16]tetradecane?
The InChIKey is GFLUYOXWDCUIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H64O2/c1-3-5-7-9-11-13-15-17-27-35-31-19-23-33(24-20-31)29-34(30-33)25-21-32(22-26-34)36-28-18-16-14-12-10-8-6-4-2/h31-32H,3-30H2,1-2H3.
What are the key properties of 3,11-didecoxydispiro[5.1.58.16]tetradecane?
3,11-didecoxydispiro[5.1.58.16]tetradecane has a molecular weight of 504.88 g/mol, XLogP of 10.95, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11-didecoxydispiro[5.1.58.16]tetradecane is sourced from PubChem (CID 18633581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).