bicyclo[2.2.1]heptane;spiro[5.5]undecane

C18H32 — CID 157147118

IUPACbicyclo[2.2.1]heptane;spiro[5.5]undecane
SMILESC1CC2CCC1C2.C1CCC2(CC1)CCCCC2
InChIInChI=1S/C11H20.C7H12/c1-3-7-11(8-4-1)9-5-2-6-10-11;1-2-7-4-3-6(1)5-7/h1-10H2;6-7H,1-5H2
InChIKeyAKVICSANRYINFX-UHFFFAOYSA-N
MW248.45 g/mol
LogP6.10
Rot. Bonds

About bicyclo[2.2.1]heptane;spiro[5.5]undecane

bicyclo[2.2.1]heptane;spiro[5.5]undecane (PubChem CID 157147118) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is bicyclo[2.2.1]heptane;spiro[5.5]undecane.

Molecular Properties

Compound Namebicyclo[2.2.1]heptane;spiro[5.5]undecane
PubChem CID157147118
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Namebicyclo[2.2.1]heptane;spiro[5.5]undecane
SMILESC1CC2CCC1C2.C1CCC2(CC1)CCCCC2
InChIInChI=1S/C11H20.C7H12/c1-3-7-11(8-4-1)9-5-2-6-10-11;1-2-7-4-3-6(1)5-7/h1-10H2;6-7H,1-5H2
InChIKeyAKVICSANRYINFX-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;spiro[4.5]decane;spiro[5.5]undecane
CID 159153074
bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bis(bicyclo[3.2.1]octane);octakis(2,2-dimethylbutane);methane;bis(spiro[4.5]decane)
CID 158113011
1,2,3,4,4a,5,6,6a,6a,6b,7,8,8a,9,10,11,12,12a,13,14,14a,14b-docosahydropicene;1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-octadecahydrochrysene;bicyclo[3.3.2]decane;bicyclo[4.2.2]decane;bicyclo[2.2.1]heptane;bicyclo[3.1.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.1]octane;bicyclo[4.1.1]octane;bicyclo[1.1.1]pentane;bicyclo[4.3.2]undecane;2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;spiro[4.5]decane;spiro[2.5]octane;spiro[5.5]undecane
CID 160544712
spiro[2.7]decane
CID 12657449
spiro[4.4]nonane
CID 90780660
spiro[2.6]nonane;hydrochloride
CID 141316852
3-methylspiro[5.6]dodecane
CID 143797283
spiro[5.6]dodecan-3-amine
CID 56639662
spiro[4.4]nonane;dihydrochloride
CID 172764572
dispiro[2.2.46.23]dodecane
CID 123747481
spiro[2.4]heptane
CID 12657448
bicyclo[1.1.1]pentane;cyclobutane;cycloheptane;cyclohexane;cyclopentane;cyclopropane
CID 162048501

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptane;spiro[5.5]undecane?
The IUPAC name of bicyclo[2.2.1]heptane;spiro[5.5]undecane (CID 157147118) is bicyclo[2.2.1]heptane;spiro[5.5]undecane.
What is the SMILES notation for bicyclo[2.2.1]heptane;spiro[5.5]undecane?
The canonical SMILES for bicyclo[2.2.1]heptane;spiro[5.5]undecane is C1CC2CCC1C2.C1CCC2(CC1)CCCCC2.
What is the InChIKey of bicyclo[2.2.1]heptane;spiro[5.5]undecane?
The InChIKey is AKVICSANRYINFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.C7H12/c1-3-7-11(8-4-1)9-5-2-6-10-11;1-2-7-4-3-6(1)5-7/h1-10H2;6-7H,1-5H2.
What are the key properties of bicyclo[2.2.1]heptane;spiro[5.5]undecane?
bicyclo[2.2.1]heptane;spiro[5.5]undecane has a molecular weight of 248.45 g/mol, XLogP of 6.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]heptane;spiro[5.5]undecane is sourced from PubChem (CID 157147118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).