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

C20H34Cl2O2 — CID 18633659

IUPAC14,14-dichloro-3,11-dipropoxydispiro[5.1.58.16]tetradecane
SMILESCCCOC1CCC2(CC1)CC1(CCC(OCCC)CC1)C2(Cl)Cl
InChIInChI=1S/C20H34Cl2O2/c1-3-13-23-16-5-9-18(10-6-16)15-19(20(18,21)22)11-7-17(8-12-19)24-14-4-2/h16-17H,3-15H2,1-2H3
InChIKeyUPEXYCAOARJOAP-UHFFFAOYSA-N
MW377.40 g/mol
LogP6.28
Rot. Bonds6

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

14,14-dichloro-3,11-dipropoxydispiro[5.1.58.16]tetradecane (PubChem CID 18633659) has the molecular formula C20H34Cl2O2 and a molecular weight of 377.40 g/mol. Its IUPAC name is 14,14-dichloro-3,11-dipropoxydispiro[5.1.58.16]tetradecane.

Molecular Properties

Compound Name14,14-dichloro-3,11-dipropoxydispiro[5.1.58.16]tetradecane
PubChem CID18633659
Molecular FormulaC20H34Cl2O2
Molecular Weight377.40 g/mol
Exact Mass376.19
IUPAC Name14,14-dichloro-3,11-dipropoxydispiro[5.1.58.16]tetradecane
SMILESCCCOC1CCC2(CC1)CC1(CCC(OCCC)CC1)C2(Cl)Cl
InChIInChI=1S/C20H34Cl2O2/c1-3-13-23-16-5-9-18(10-6-16)15-19(20(18,21)22)11-7-17(8-12-19)24-14-4-2/h16-17H,3-15H2,1-2H3
InChIKeyUPEXYCAOARJOAP-UHFFFAOYSA-N
XLogP6.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.40
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 14,14-dichloro-3,11-dipropoxydispiro[5.1.58.16]tetradecane?
The IUPAC name of 14,14-dichloro-3,11-dipropoxydispiro[5.1.58.16]tetradecane (CID 18633659) is 14,14-dichloro-3,11-dipropoxydispiro[5.1.58.16]tetradecane.
What is the SMILES notation for 14,14-dichloro-3,11-dipropoxydispiro[5.1.58.16]tetradecane?
The canonical SMILES for 14,14-dichloro-3,11-dipropoxydispiro[5.1.58.16]tetradecane is CCCOC1CCC2(CC1)CC1(CCC(OCCC)CC1)C2(Cl)Cl.
What is the InChIKey of 14,14-dichloro-3,11-dipropoxydispiro[5.1.58.16]tetradecane?
The InChIKey is UPEXYCAOARJOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34Cl2O2/c1-3-13-23-16-5-9-18(10-6-16)15-19(20(18,21)22)11-7-17(8-12-19)24-14-4-2/h16-17H,3-15H2,1-2H3.
What are the key properties of 14,14-dichloro-3,11-dipropoxydispiro[5.1.58.16]tetradecane?
14,14-dichloro-3,11-dipropoxydispiro[5.1.58.16]tetradecane has a molecular weight of 377.40 g/mol, XLogP of 6.28, 6 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-dipropoxydispiro[5.1.58.16]tetradecane is sourced from PubChem (CID 18633659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).