2-[1-(cyclohexylmethyl)cyclobutyl]-2-methylspiro[2.3]hexane

C18H30 — CID 163878928

IUPAC2-[1-(cyclohexylmethyl)cyclobutyl]-2-methylspiro[2.3]hexane
SMILESCC1(C2(CC3CCCCC3)CCC2)CC12CCC2
InChIInChI=1S/C18H30/c1-16(14-18(16)11-6-12-18)17(9-5-10-17)13-15-7-3-2-4-8-15/h15H,2-14H2,1H3
InChIKeyPRJRVBLJCXXDBW-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.71
Rot. Bonds3

About 2-[1-(cyclohexylmethyl)cyclobutyl]-2-methylspiro[2.3]hexane

2-[1-(cyclohexylmethyl)cyclobutyl]-2-methylspiro[2.3]hexane (PubChem CID 163878928) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)cyclobutyl]-2-methylspiro[2.3]hexane.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)cyclobutyl]-2-methylspiro[2.3]hexane
PubChem CID163878928
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name2-[1-(cyclohexylmethyl)cyclobutyl]-2-methylspiro[2.3]hexane
SMILESCC1(C2(CC3CCCCC3)CCC2)CC12CCC2
InChIInChI=1S/C18H30/c1-16(14-18(16)11-6-12-18)17(9-5-10-17)13-15-7-3-2-4-8-15/h15H,2-14H2,1H3
InChIKeyPRJRVBLJCXXDBW-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-[[1-(cyclopentylmethyl)cyclohexyl]methyl]ethanamine
CID 63507298
1-(chloromethyl)-1-(cyclohexylmethyl)cyclohexane
CID 66035796
1-(cyclohexylmethyl)-2,2-dimethylcyclopentan-1-amine
CID 79856330
1-(cyclopentylmethyl)-2,2-dimethylcyclopentan-1-ol
CID 79862326
N-[[1-(cyclopentylmethyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196171
1-(cyclohexylmethyl)cyclohexane-1-thiol
CID 144560973
[1-(cyclopentylmethyl)cyclopropyl]methanamine
CID 66024631
[3-(cyclohexylmethyl)oxetan-3-yl]methanamine
CID 116930585
[3-(cyclopentylmethyl)-1-bicyclo[1.1.0]butanyl]methanol
CID 163878280
[4-(cyclohexylmethyl)oxan-4-yl]methanamine
CID 62906945
3-[(1-methylcyclobutyl)methyl]cyclohexan-1-amine
CID 130602126
N-[[3-(cyclohexylmethyl)oxan-3-yl]methyl]propan-1-amine
CID 63010486

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)cyclobutyl]-2-methylspiro[2.3]hexane?
The IUPAC name of 2-[1-(cyclohexylmethyl)cyclobutyl]-2-methylspiro[2.3]hexane (CID 163878928) is 2-[1-(cyclohexylmethyl)cyclobutyl]-2-methylspiro[2.3]hexane.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)cyclobutyl]-2-methylspiro[2.3]hexane?
The canonical SMILES for 2-[1-(cyclohexylmethyl)cyclobutyl]-2-methylspiro[2.3]hexane is CC1(C2(CC3CCCCC3)CCC2)CC12CCC2.
What is the InChIKey of 2-[1-(cyclohexylmethyl)cyclobutyl]-2-methylspiro[2.3]hexane?
The InChIKey is PRJRVBLJCXXDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-16(14-18(16)11-6-12-18)17(9-5-10-17)13-15-7-3-2-4-8-15/h15H,2-14H2,1H3.
What are the key properties of 2-[1-(cyclohexylmethyl)cyclobutyl]-2-methylspiro[2.3]hexane?
2-[1-(cyclohexylmethyl)cyclobutyl]-2-methylspiro[2.3]hexane has a molecular weight of 246.44 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)cyclobutyl]-2-methylspiro[2.3]hexane is sourced from PubChem (CID 163878928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).