14,14-dichloro-3,11-dipentoxydispiro[5.1.58.16]tetradecane

C24H42Cl2O2 — CID 18633648

IUPAC14,14-dichloro-3,11-dipentoxydispiro[5.1.58.16]tetradecane
SMILESCCCCCOC1CCC2(CC1)CC1(CCC(OCCCCC)CC1)C2(Cl)Cl
InChIInChI=1S/C24H42Cl2O2/c1-3-5-7-17-27-20-9-13-22(14-10-20)19-23(24(22,25)26)15-11-21(12-16-23)28-18-8-6-4-2/h20-21H,3-19H2,1-2H3
InChIKeyIAUMBJVAVOCWFO-UHFFFAOYSA-N
MW433.50 g/mol
LogP7.84
Rot. Bonds10

About 14,14-dichloro-3,11-dipentoxydispiro[5.1.58.16]tetradecane

14,14-dichloro-3,11-dipentoxydispiro[5.1.58.16]tetradecane (PubChem CID 18633648) has the molecular formula C24H42Cl2O2 and a molecular weight of 433.50 g/mol. Its IUPAC name is 14,14-dichloro-3,11-dipentoxydispiro[5.1.58.16]tetradecane.

Molecular Properties

Compound Name14,14-dichloro-3,11-dipentoxydispiro[5.1.58.16]tetradecane
PubChem CID18633648
Molecular FormulaC24H42Cl2O2
Molecular Weight433.50 g/mol
Exact Mass432.26
IUPAC Name14,14-dichloro-3,11-dipentoxydispiro[5.1.58.16]tetradecane
SMILESCCCCCOC1CCC2(CC1)CC1(CCC(OCCCCC)CC1)C2(Cl)Cl
InChIInChI=1S/C24H42Cl2O2/c1-3-5-7-17-27-20-9-13-22(14-10-20)19-23(24(22,25)26)15-11-21(12-16-23)28-18-8-6-4-2/h20-21H,3-19H2,1-2H3
InChIKeyIAUMBJVAVOCWFO-UHFFFAOYSA-N
XLogP7.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.50
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,11-Bis(4-butoxycyclohexyl)-14,14-dichlorodispiro[5.1.58.16]tetradecane
CID 18633478
14,14-Dichloro-3,11-bis(4-decoxycyclohexyl)dispiro[5.1.58.16]tetradecane
CID 18633486
14,14-Dichloro-3,11-bis(4-ethoxycyclohexyl)dispiro[5.1.58.16]tetradecane
CID 18633496
14,14-Dichloro-3,11-bis(4-heptoxycyclohexyl)dispiro[5.1.58.16]tetradecane
CID 18633504
14,14-Dichloro-3,11-bis(4-hexoxycyclohexyl)dispiro[5.1.58.16]tetradecane
CID 18633514
14,14-Dichloro-3,11-bis(4-methoxycyclohexyl)dispiro[5.1.58.16]tetradecane
CID 18633524
14,14-Dichloro-3,11-bis(4-nonoxycyclohexyl)dispiro[5.1.58.16]tetradecane
CID 18633532
14,14-Dichloro-3,11-bis(4-octoxycyclohexyl)dispiro[5.1.58.16]tetradecane
CID 18633542
14,14-Dichloro-3,11-bis(4-pentoxycyclohexyl)dispiro[5.1.58.16]tetradecane
CID 18633552
14,14-Dichloro-3,11-bis(4-propoxycyclohexyl)dispiro[5.1.58.16]tetradecane
CID 18633562
3,11-Dibutoxy-14,14-dichlorodispiro[5.1.58.16]tetradecane
CID 18633568
3,11-Dibutoxydispiro[5.1.58.16]tetradecane
CID 18633571

Frequently Asked Questions

What is the IUPAC name of 14,14-dichloro-3,11-dipentoxydispiro[5.1.58.16]tetradecane?
The IUPAC name of 14,14-dichloro-3,11-dipentoxydispiro[5.1.58.16]tetradecane (CID 18633648) is 14,14-dichloro-3,11-dipentoxydispiro[5.1.58.16]tetradecane.
What is the SMILES notation for 14,14-dichloro-3,11-dipentoxydispiro[5.1.58.16]tetradecane?
The canonical SMILES for 14,14-dichloro-3,11-dipentoxydispiro[5.1.58.16]tetradecane is CCCCCOC1CCC2(CC1)CC1(CCC(OCCCCC)CC1)C2(Cl)Cl.
What is the InChIKey of 14,14-dichloro-3,11-dipentoxydispiro[5.1.58.16]tetradecane?
The InChIKey is IAUMBJVAVOCWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42Cl2O2/c1-3-5-7-17-27-20-9-13-22(14-10-20)19-23(24(22,25)26)15-11-21(12-16-23)28-18-8-6-4-2/h20-21H,3-19H2,1-2H3.
What are the key properties of 14,14-dichloro-3,11-dipentoxydispiro[5.1.58.16]tetradecane?
14,14-dichloro-3,11-dipentoxydispiro[5.1.58.16]tetradecane has a molecular weight of 433.50 g/mol, XLogP of 7.84, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dichloro-3,11-dipentoxydispiro[5.1.58.16]tetradecane is sourced from PubChem (CID 18633648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).