8-[(3,4-dichlorophenyl)methyl]-1,4-dioxaspiro[4.5]decane

C15H18Cl2O2 — CID 10756681

IUPAC8-[(3,4-dichlorophenyl)methyl]-1,4-dioxaspiro[4.5]decane
SMILESClc1ccc(CC2CCC3(CC2)OCCO3)cc1Cl
InChIInChI=1S/C15H18Cl2O2/c16-13-2-1-12(10-14(13)17)9-11-3-5-15(6-4-11)18-7-8-19-15/h1-2,10-11H,3-9H2
InChIKeyROPWPARHYAIPFF-UHFFFAOYSA-N
MW301.21 g/mol
LogP4.47
Rot. Bonds2

About 8-[(3,4-dichlorophenyl)methyl]-1,4-dioxaspiro[4.5]decane

8-[(3,4-dichlorophenyl)methyl]-1,4-dioxaspiro[4.5]decane (PubChem CID 10756681) has the molecular formula C15H18Cl2O2 and a molecular weight of 301.21 g/mol. Its IUPAC name is 8-[(3,4-dichlorophenyl)methyl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(3,4-dichlorophenyl)methyl]-1,4-dioxaspiro[4.5]decane
PubChem CID10756681
Molecular FormulaC15H18Cl2O2
Molecular Weight301.21 g/mol
Exact Mass300.07
IUPAC Name8-[(3,4-dichlorophenyl)methyl]-1,4-dioxaspiro[4.5]decane
SMILESClc1ccc(CC2CCC3(CC2)OCCO3)cc1Cl
InChIInChI=1S/C15H18Cl2O2/c16-13-2-1-12(10-14(13)17)9-11-3-5-15(6-4-11)18-7-8-19-15/h1-2,10-11H,3-9H2
InChIKeyROPWPARHYAIPFF-UHFFFAOYSA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[(3,4-dichlorophenyl)methyl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-[(3,4-dichlorophenyl)methyl]-1,4-dioxaspiro[4.5]decane (CID 10756681) is 8-[(3,4-dichlorophenyl)methyl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-[(3,4-dichlorophenyl)methyl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-[(3,4-dichlorophenyl)methyl]-1,4-dioxaspiro[4.5]decane is Clc1ccc(CC2CCC3(CC2)OCCO3)cc1Cl.
What is the InChIKey of 8-[(3,4-dichlorophenyl)methyl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is ROPWPARHYAIPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2O2/c16-13-2-1-12(10-14(13)17)9-11-3-5-15(6-4-11)18-7-8-19-15/h1-2,10-11H,3-9H2.
What are the key properties of 8-[(3,4-dichlorophenyl)methyl]-1,4-dioxaspiro[4.5]decane?
8-[(3,4-dichlorophenyl)methyl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 301.21 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,4-dichlorophenyl)methyl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 10756681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).