1-(chloromethyl)-2,2-dimethyl-8-propan-2-ylspiro[2.5]octane

C14H25Cl — CID 130489062

IUPAC1-(chloromethyl)-2,2-dimethyl-8-propan-2-ylspiro[2.5]octane
SMILESCC(C)C1CCCCC12C(CCl)C2(C)C
InChIInChI=1S/C14H25Cl/c1-10(2)11-7-5-6-8-14(11)12(9-15)13(14,3)4/h10-12H,5-9H2,1-4H3
InChIKeyOJNCVEABKBKNIP-UHFFFAOYSA-N
MW228.81 g/mol
LogP4.71
Rot. Bonds2

About 1-(chloromethyl)-2,2-dimethyl-8-propan-2-ylspiro[2.5]octane

1-(chloromethyl)-2,2-dimethyl-8-propan-2-ylspiro[2.5]octane (PubChem CID 130489062) has the molecular formula C14H25Cl and a molecular weight of 228.81 g/mol. Its IUPAC name is 1-(chloromethyl)-2,2-dimethyl-8-propan-2-ylspiro[2.5]octane.

Molecular Properties

Compound Name1-(chloromethyl)-2,2-dimethyl-8-propan-2-ylspiro[2.5]octane
PubChem CID130489062
Molecular FormulaC14H25Cl
Molecular Weight228.81 g/mol
Exact Mass228.16
IUPAC Name1-(chloromethyl)-2,2-dimethyl-8-propan-2-ylspiro[2.5]octane
SMILESCC(C)C1CCCCC12C(CCl)C2(C)C
InChIInChI=1S/C14H25Cl/c1-10(2)11-7-5-6-8-14(11)12(9-15)13(14,3)4/h10-12H,5-9H2,1-4H3
InChIKeyOJNCVEABKBKNIP-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.81
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-propan-2-ylspiro[3.5]nonane
CID 140652255
1,1-dimethyl-2-propan-2-ylcyclopentane
CID 23384810
cis-(1R,2R)-1-methyl-2-propan-2-ylcyclopentan-1-ol
CID 158874958
[1,2-di(propan-2-yl)cyclohexyl]phosphane
CID 66647929
5-propan-2-yl-1-oxaspiro[3.5]nonane
CID 118613178
10-(1-chloroethyl)spiro[4.5]decane
CID 130592919
7a-methyl-1-propan-2-yl-1,2,3,3a,4,5,6,7-octahydroindene;ethane
CID 171514163
1-butan-2-yl-1-methyl-2-propan-2-ylcyclopentane
CID 177219005
(5S,6R)-6-propan-2-yl-1-azaspiro[4.5]decane
CID 121382404
7-propan-2-ylspiro[2.4]heptane
CID 154526076
2-propan-2-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)cyclohexan-1-ol
CID 114622178
6-propan-2-yl-1-azaspiro[4.6]undecane
CID 171423222

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2,2-dimethyl-8-propan-2-ylspiro[2.5]octane?
The IUPAC name of 1-(chloromethyl)-2,2-dimethyl-8-propan-2-ylspiro[2.5]octane (CID 130489062) is 1-(chloromethyl)-2,2-dimethyl-8-propan-2-ylspiro[2.5]octane.
What is the SMILES notation for 1-(chloromethyl)-2,2-dimethyl-8-propan-2-ylspiro[2.5]octane?
The canonical SMILES for 1-(chloromethyl)-2,2-dimethyl-8-propan-2-ylspiro[2.5]octane is CC(C)C1CCCCC12C(CCl)C2(C)C.
What is the InChIKey of 1-(chloromethyl)-2,2-dimethyl-8-propan-2-ylspiro[2.5]octane?
The InChIKey is OJNCVEABKBKNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25Cl/c1-10(2)11-7-5-6-8-14(11)12(9-15)13(14,3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of 1-(chloromethyl)-2,2-dimethyl-8-propan-2-ylspiro[2.5]octane?
1-(chloromethyl)-2,2-dimethyl-8-propan-2-ylspiro[2.5]octane has a molecular weight of 228.81 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2,2-dimethyl-8-propan-2-ylspiro[2.5]octane is sourced from PubChem (CID 130489062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).