14,14-dichloro-3,11-bis(4-propoxycyclohexyl)dispiro[5.1.58.16]tetradecane

C32H54Cl2O2 — CID 18633562

IUPAC14,14-dichloro-3,11-bis(4-propoxycyclohexyl)dispiro[5.1.58.16]tetradecane
SMILESCCCOC1CCC(C2CCC3(CC2)CC2(CCC(C4CCC(OCCC)CC4)CC2)C3(Cl)Cl)CC1
InChIInChI=1S/C32H54Cl2O2/c1-3-21-35-28-9-5-24(6-10-28)26-13-17-30(18-14-26)23-31(32(30,33)34)19-15-27(16-20-31)25-7-11-29(12-8-25)36-22-4-2/h24-29H,3-23H2,1-2H3
InChIKeyDDMSQANLDPXJRH-UHFFFAOYSA-N
MW541.69 g/mol
LogP9.89
Rot. Bonds8

About 14,14-dichloro-3,11-bis(4-propoxycyclohexyl)dispiro[5.1.58.16]tetradecane

14,14-dichloro-3,11-bis(4-propoxycyclohexyl)dispiro[5.1.58.16]tetradecane (PubChem CID 18633562) has the molecular formula C32H54Cl2O2 and a molecular weight of 541.69 g/mol. Its IUPAC name is 14,14-dichloro-3,11-bis(4-propoxycyclohexyl)dispiro[5.1.58.16]tetradecane.

Molecular Properties

Compound Name14,14-dichloro-3,11-bis(4-propoxycyclohexyl)dispiro[5.1.58.16]tetradecane
PubChem CID18633562
Molecular FormulaC32H54Cl2O2
Molecular Weight541.69 g/mol
Exact Mass540.35
IUPAC Name14,14-dichloro-3,11-bis(4-propoxycyclohexyl)dispiro[5.1.58.16]tetradecane
SMILESCCCOC1CCC(C2CCC3(CC2)CC2(CCC(C4CCC(OCCC)CC4)CC2)C3(Cl)Cl)CC1
InChIInChI=1S/C32H54Cl2O2/c1-3-21-35-28-9-5-24(6-10-28)26-13-17-30(18-14-26)23-31(32(30,33)34)19-15-27(16-20-31)25-7-11-29(12-8-25)36-22-4-2/h24-29H,3-23H2,1-2H3
InChIKeyDDMSQANLDPXJRH-UHFFFAOYSA-N
XLogP9.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.69
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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]tetradecan-7-one
CID 18633477
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]tetradecan-7-one
CID 18633485
14,14-Dichloro-3,11-bis(4-decoxycyclohexyl)dispiro[5.1.58.16]tetradecane
CID 18633486
3,11-Bis(4-decoxycyclohexyl)dispiro[5.1.58.16]tetradecane
CID 18633490
14,14-Dichloro-3,11-bis(4-ethoxycyclohexyl)dispiro[5.1.58.16]tetradecan-7-one
CID 18633495
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]tetradecan-7-one
CID 18633503
14,14-Dichloro-3,11-bis(4-heptoxycyclohexyl)dispiro[5.1.58.16]tetradecane
CID 18633504
3,11-Bis(4-heptoxycyclohexyl)dispiro[5.1.58.16]tetradecane
CID 18633508
14,14-Dichloro-3,11-bis(4-hexoxycyclohexyl)dispiro[5.1.58.16]tetradecan-7-one
CID 18633513
14,14-Dichloro-3,11-bis(4-hexoxycyclohexyl)dispiro[5.1.58.16]tetradecane
CID 18633514

Frequently Asked Questions

What is the IUPAC name of 14,14-dichloro-3,11-bis(4-propoxycyclohexyl)dispiro[5.1.58.16]tetradecane?
The IUPAC name of 14,14-dichloro-3,11-bis(4-propoxycyclohexyl)dispiro[5.1.58.16]tetradecane (CID 18633562) is 14,14-dichloro-3,11-bis(4-propoxycyclohexyl)dispiro[5.1.58.16]tetradecane.
What is the SMILES notation for 14,14-dichloro-3,11-bis(4-propoxycyclohexyl)dispiro[5.1.58.16]tetradecane?
The canonical SMILES for 14,14-dichloro-3,11-bis(4-propoxycyclohexyl)dispiro[5.1.58.16]tetradecane is CCCOC1CCC(C2CCC3(CC2)CC2(CCC(C4CCC(OCCC)CC4)CC2)C3(Cl)Cl)CC1.
What is the InChIKey of 14,14-dichloro-3,11-bis(4-propoxycyclohexyl)dispiro[5.1.58.16]tetradecane?
The InChIKey is DDMSQANLDPXJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54Cl2O2/c1-3-21-35-28-9-5-24(6-10-28)26-13-17-30(18-14-26)23-31(32(30,33)34)19-15-27(16-20-31)25-7-11-29(12-8-25)36-22-4-2/h24-29H,3-23H2,1-2H3.
What are the key properties of 14,14-dichloro-3,11-bis(4-propoxycyclohexyl)dispiro[5.1.58.16]tetradecane?
14,14-dichloro-3,11-bis(4-propoxycyclohexyl)dispiro[5.1.58.16]tetradecane has a molecular weight of 541.69 g/mol, XLogP of 9.89, 8 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-bis(4-propoxycyclohexyl)dispiro[5.1.58.16]tetradecane is sourced from PubChem (CID 18633562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).