spiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane]

C13H22 — CID 86249645

IUPACspiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane]
SMILESC1CCCC2(CC1)CC1CCC2C1
InChIInChI=1S/C13H22/c1-2-4-8-13(7-3-1)10-11-5-6-12(13)9-11/h11-12H,1-10H2
InChIKeyOKBWOQRSWALJBE-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.15
Rot. Bonds

About spiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane]

spiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane] (PubChem CID 86249645) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is spiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane].

Molecular Properties

Compound Namespiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane]
PubChem CID86249645
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Namespiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane]
SMILESC1CCCC2(CC1)CC1CCC2C1
InChIInChI=1S/C13H22/c1-2-4-8-13(7-3-1)10-11-5-6-12(13)9-11/h11-12H,1-10H2
InChIKeyOKBWOQRSWALJBE-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

spiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane]
CID 22273219
tricyclo[6.6.4.01,3]octadecan-5-amine
CID 155119532
CID 163803280
CID 163803280
spiro[bicyclo[2.2.1]heptane-2,2'-oxolane]
CID 165155234
2-spiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ylethanol
CID 156535894
tricyclo[4.2.1.03,7]nonane;tricyclo[6.2.1.01,5]undecane
CID 144554532
9-tert-butyl-3,3-dimethylspiro[5.5]undecane;11-tert-butyldispiro[4.2.58.25]pentadecane;4'-tert-butylspiro[bicyclo[2.2.1]heptane-2,1'-cyclohexane];4'-tert-butylspiro[bicyclo[2.1.1]hexane-2,1'-cyclohexane];3-tert-butyl-2,2,4,4-tetramethylspiro[5.5]undecane
CID 160940084
spiro[bicyclo[2.2.1]heptane-2,3'-pyrrolidine]-1'-carboxylic acid
CID 70434375
2,2-dihydroperoxybicyclo[2.2.1]heptane
CID 134965328
(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
CID 134981260
bicyclo[2.2.1]heptane;spiro[5.5]undecane
CID 157147118
N-[(2-cycloheptyl-2-bicyclo[2.2.1]heptanyl)methyl]cyclopropanamine
CID 82934165

Frequently Asked Questions

What is the IUPAC name of spiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane]?
The IUPAC name of spiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane] (CID 86249645) is spiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane].
What is the SMILES notation for spiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane]?
The canonical SMILES for spiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane] is C1CCCC2(CC1)CC1CCC2C1.
What is the InChIKey of spiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane]?
The InChIKey is OKBWOQRSWALJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-2-4-8-13(7-3-1)10-11-5-6-12(13)9-11/h11-12H,1-10H2.
What are the key properties of spiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane]?
spiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane] has a molecular weight of 178.32 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane] is sourced from PubChem (CID 86249645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).