2-(3-chloro-2,2-dimethylpropyl)-1-oxaspiro[4.5]decane

C14H25ClO — CID 102902077

IUPAC2-(3-chloro-2,2-dimethylpropyl)-1-oxaspiro[4.5]decane
SMILESCC(C)(CCl)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H25ClO/c1-13(2,11-15)10-12-6-9-14(16-12)7-4-3-5-8-14/h12H,3-11H2,1-2H3
InChIKeyMAEKFHPKKSUYPK-UHFFFAOYSA-N
MW244.81 g/mol
LogP4.52
Rot. Bonds3

About 2-(3-chloro-2,2-dimethylpropyl)-1-oxaspiro[4.5]decane

2-(3-chloro-2,2-dimethylpropyl)-1-oxaspiro[4.5]decane (PubChem CID 102902077) has the molecular formula C14H25ClO and a molecular weight of 244.81 g/mol. Its IUPAC name is 2-(3-chloro-2,2-dimethylpropyl)-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name2-(3-chloro-2,2-dimethylpropyl)-1-oxaspiro[4.5]decane
PubChem CID102902077
Molecular FormulaC14H25ClO
Molecular Weight244.81 g/mol
Exact Mass244.16
IUPAC Name2-(3-chloro-2,2-dimethylpropyl)-1-oxaspiro[4.5]decane
SMILESCC(C)(CCl)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H25ClO/c1-13(2,11-15)10-12-6-9-14(16-12)7-4-3-5-8-14/h12H,3-11H2,1-2H3
InChIKeyMAEKFHPKKSUYPK-UHFFFAOYSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.81
LogP ≤ 54.52
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-[2-(chloromethyl)-2-methylbut-3-enyl]-1-oxaspiro[4.5]decane
CID 102902372
2-(4-bromo-2,2-dimethylpentyl)-1-oxaspiro[4.4]nonane
CID 102901466
2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diol
CID 102902443
1-chloro-2-(chloromethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 107867048
2-ethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-ol
CID 102902006
N-ethyl-2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900369
2-(chloromethyl)-2-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 106252571
2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102896742
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
2-butyl-1-oxaspiro[4.5]decane
CID 154513555
3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900494
2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
CID 102896955

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,2-dimethylpropyl)-1-oxaspiro[4.5]decane?
The IUPAC name of 2-(3-chloro-2,2-dimethylpropyl)-1-oxaspiro[4.5]decane (CID 102902077) is 2-(3-chloro-2,2-dimethylpropyl)-1-oxaspiro[4.5]decane.
What is the SMILES notation for 2-(3-chloro-2,2-dimethylpropyl)-1-oxaspiro[4.5]decane?
The canonical SMILES for 2-(3-chloro-2,2-dimethylpropyl)-1-oxaspiro[4.5]decane is CC(C)(CCl)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-(3-chloro-2,2-dimethylpropyl)-1-oxaspiro[4.5]decane?
The InChIKey is MAEKFHPKKSUYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClO/c1-13(2,11-15)10-12-6-9-14(16-12)7-4-3-5-8-14/h12H,3-11H2,1-2H3.
What are the key properties of 2-(3-chloro-2,2-dimethylpropyl)-1-oxaspiro[4.5]decane?
2-(3-chloro-2,2-dimethylpropyl)-1-oxaspiro[4.5]decane has a molecular weight of 244.81 g/mol, XLogP of 4.52, 3 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-dimethylpropyl)-1-oxaspiro[4.5]decane is sourced from PubChem (CID 102902077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).