2-[2-(chloromethyl)-2-methylbut-3-enyl]-1-oxaspiro[4.5]decane

C15H25ClO — CID 102902372

IUPAC2-[2-(chloromethyl)-2-methylbut-3-enyl]-1-oxaspiro[4.5]decane
SMILESC=CC(C)(CCl)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H25ClO/c1-3-14(2,12-16)11-13-7-10-15(17-13)8-5-4-6-9-15/h3,13H,1,4-12H2,2H3
InChIKeyGPRIUGVEVDAZHV-UHFFFAOYSA-N
MW256.82 g/mol
LogP4.69
Rot. Bonds4

About 2-[2-(chloromethyl)-2-methylbut-3-enyl]-1-oxaspiro[4.5]decane

2-[2-(chloromethyl)-2-methylbut-3-enyl]-1-oxaspiro[4.5]decane (PubChem CID 102902372) has the molecular formula C15H25ClO and a molecular weight of 256.82 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-2-methylbut-3-enyl]-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name2-[2-(chloromethyl)-2-methylbut-3-enyl]-1-oxaspiro[4.5]decane
PubChem CID102902372
Molecular FormulaC15H25ClO
Molecular Weight256.82 g/mol
Exact Mass256.16
IUPAC Name2-[2-(chloromethyl)-2-methylbut-3-enyl]-1-oxaspiro[4.5]decane
SMILESC=CC(C)(CCl)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H25ClO/c1-3-14(2,12-16)11-13-7-10-15(17-13)8-5-4-6-9-15/h3,13H,1,4-12H2,2H3
InChIKeyGPRIUGVEVDAZHV-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.82
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-2,2-dimethylpropyl)-1-oxaspiro[4.5]decane
CID 102902077
N-ethyl-2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)but-3-en-1-amine
CID 102900563
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
2-(3-chloro-2-methylbutyl)-1-oxaspiro[4.5]decane
CID 102899907
N-ethyl-2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900369
3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102900494
2-(4-bromo-2,2-dimethylpentyl)-1-oxaspiro[4.4]nonane
CID 102901466
2-(chloromethyl)-2-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 106252571
N-[3,3-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butyl]cyclopropanamine
CID 102900503
2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102896742

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-2-methylbut-3-enyl]-1-oxaspiro[4.5]decane?
The IUPAC name of 2-[2-(chloromethyl)-2-methylbut-3-enyl]-1-oxaspiro[4.5]decane (CID 102902372) is 2-[2-(chloromethyl)-2-methylbut-3-enyl]-1-oxaspiro[4.5]decane.
What is the SMILES notation for 2-[2-(chloromethyl)-2-methylbut-3-enyl]-1-oxaspiro[4.5]decane?
The canonical SMILES for 2-[2-(chloromethyl)-2-methylbut-3-enyl]-1-oxaspiro[4.5]decane is C=CC(C)(CCl)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-[2-(chloromethyl)-2-methylbut-3-enyl]-1-oxaspiro[4.5]decane?
The InChIKey is GPRIUGVEVDAZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClO/c1-3-14(2,12-16)11-13-7-10-15(17-13)8-5-4-6-9-15/h3,13H,1,4-12H2,2H3.
What are the key properties of 2-[2-(chloromethyl)-2-methylbut-3-enyl]-1-oxaspiro[4.5]decane?
2-[2-(chloromethyl)-2-methylbut-3-enyl]-1-oxaspiro[4.5]decane has a molecular weight of 256.82 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-2-methylbut-3-enyl]-1-oxaspiro[4.5]decane is sourced from PubChem (CID 102902372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).