1-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclohexane]

C10H16 — CID 134889491

IUPAC1-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclohexane]
SMILESCC12CC1C21CCCCC1
InChIInChI=1S/C10H16/c1-9-7-8(9)10(9)5-3-2-4-6-10/h8H,2-7H2,1H3
InChIKeyHGARVMIKOMYANV-UHFFFAOYSA-N
MW136.24 g/mol
LogP2.98
Rot. Bonds

About 1-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclohexane]

1-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclohexane] (PubChem CID 134889491) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclohexane].

Molecular Properties

Compound Name1-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclohexane]
PubChem CID134889491
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclohexane]
SMILESCC12CC1C21CCCCC1
InChIInChI=1S/C10H16/c1-9-7-8(9)10(9)5-3-2-4-6-10/h8H,2-7H2,1H3
InChIKeyHGARVMIKOMYANV-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Tetraspiro[2.0.2.0.2.0.2.0]dodecane
CID 141105
1-Butylspiropentane
CID 22566
1'-Methyl-1,1':2',1''-tercyclopropane
CID 519050
1,1'-Bicyclopropyl, 2,2,2',2'-tetramethyl-
CID 563701
1-Tert-butyltricyclo[4.1.0.02,7]heptane
CID 21677570
1-Methylspiro[2.5]octane
CID 9989273
2-Pentyltricyclo[1.1.1.01,3]pentane
CID 14812704
2-Nonyltetracyclo[2.1.0.01,3.02,5]pentane
CID 57053286
3-Methylspiro[3.5]nonane
CID 57473010
1,3-Ditert-butylbicyclo[1.1.0]butane
CID 85520674
1-Tert-butyl-2,2-dimethyl-3-propan-2-ylbicyclo[1.1.0]butane
CID 91436034
1-Cyclopropylmethyl-1,2-diethylcyclopropane
CID 91612623

Frequently Asked Questions

What is the IUPAC name of 1-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclohexane]?
The IUPAC name of 1-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclohexane] (CID 134889491) is 1-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclohexane].
What is the SMILES notation for 1-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclohexane]?
The canonical SMILES for 1-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclohexane] is CC12CC1C21CCCCC1.
What is the InChIKey of 1-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclohexane]?
The InChIKey is HGARVMIKOMYANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-9-7-8(9)10(9)5-3-2-4-6-10/h8H,2-7H2,1H3.
What are the key properties of 1-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclohexane]?
1-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclohexane] has a molecular weight of 136.24 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylspiro[bicyclo[1.1.0]butane-2,1'-cyclohexane] is sourced from PubChem (CID 134889491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).