2-[3-chloro-2-(2-chlorophenyl)propyl]-1-oxaspiro[4.5]decane

C18H24Cl2O — CID 102902317

IUPAC2-[3-chloro-2-(2-chlorophenyl)propyl]-1-oxaspiro[4.5]decane
SMILESClCC(CC1CCC2(CCCCC2)O1)c1ccccc1Cl
InChIInChI=1S/C18H24Cl2O/c19-13-14(16-6-2-3-7-17(16)20)12-15-8-11-18(21-15)9-4-1-5-10-18/h2-3,6-7,14-15H,1,4-5,8-13H2
InChIKeyUNPSCEMPGDJVCU-UHFFFAOYSA-N
MW327.30 g/mol
LogP5.93
Rot. Bonds4

About 2-[3-chloro-2-(2-chlorophenyl)propyl]-1-oxaspiro[4.5]decane

2-[3-chloro-2-(2-chlorophenyl)propyl]-1-oxaspiro[4.5]decane (PubChem CID 102902317) has the molecular formula C18H24Cl2O and a molecular weight of 327.30 g/mol. Its IUPAC name is 2-[3-chloro-2-(2-chlorophenyl)propyl]-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name2-[3-chloro-2-(2-chlorophenyl)propyl]-1-oxaspiro[4.5]decane
PubChem CID102902317
Molecular FormulaC18H24Cl2O
Molecular Weight327.30 g/mol
Exact Mass326.12
IUPAC Name2-[3-chloro-2-(2-chlorophenyl)propyl]-1-oxaspiro[4.5]decane
SMILESClCC(CC1CCC2(CCCCC2)O1)c1ccccc1Cl
InChIInChI=1S/C18H24Cl2O/c19-13-14(16-6-2-3-7-17(16)20)12-15-8-11-18(21-15)9-4-1-5-10-18/h2-3,6-7,14-15H,1,4-5,8-13H2
InChIKeyUNPSCEMPGDJVCU-UHFFFAOYSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.30
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[3-chloro-2-(4-methylphenyl)propyl]-1-oxaspiro[4.4]nonane
CID 102902263
2-(chloromethyl)-3-(1-oxaspiro[4.5]decan-2-yl)propanenitrile
CID 102900733
2-(2-benzyl-3-bromopropyl)-1-oxaspiro[4.5]decane
CID 102902178
2-(3-bromo-2-methyl-3-phenylpropyl)-1-oxaspiro[4.5]decane
CID 102899979
2-[2-(chloromethyl)-3-(3-methylphenyl)propyl]-1-oxaspiro[4.4]nonane
CID 102902116
2-benzyl-3-(1-oxaspiro[4.4]nonan-2-yl)propan-1-amine
CID 102900183
2-(3-chloro-2-methylbutyl)-1-oxaspiro[4.5]decane
CID 102899907
2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-1-phenylpropan-1-one
CID 102898959
1-[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol
CID 102898614
1-[3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanyl)phenyl]ethanamine
CID 102901168
2,5-dichloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)aniline
CID 102896565
3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900494

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(2-chlorophenyl)propyl]-1-oxaspiro[4.5]decane?
The IUPAC name of 2-[3-chloro-2-(2-chlorophenyl)propyl]-1-oxaspiro[4.5]decane (CID 102902317) is 2-[3-chloro-2-(2-chlorophenyl)propyl]-1-oxaspiro[4.5]decane.
What is the SMILES notation for 2-[3-chloro-2-(2-chlorophenyl)propyl]-1-oxaspiro[4.5]decane?
The canonical SMILES for 2-[3-chloro-2-(2-chlorophenyl)propyl]-1-oxaspiro[4.5]decane is ClCC(CC1CCC2(CCCCC2)O1)c1ccccc1Cl.
What is the InChIKey of 2-[3-chloro-2-(2-chlorophenyl)propyl]-1-oxaspiro[4.5]decane?
The InChIKey is UNPSCEMPGDJVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2O/c19-13-14(16-6-2-3-7-17(16)20)12-15-8-11-18(21-15)9-4-1-5-10-18/h2-3,6-7,14-15H,1,4-5,8-13H2.
What are the key properties of 2-[3-chloro-2-(2-chlorophenyl)propyl]-1-oxaspiro[4.5]decane?
2-[3-chloro-2-(2-chlorophenyl)propyl]-1-oxaspiro[4.5]decane has a molecular weight of 327.30 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(2-chlorophenyl)propyl]-1-oxaspiro[4.5]decane is sourced from PubChem (CID 102902317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).