1,2,6,7,7-pentamethylbicyclo[3.2.0]heptane

C12H22 — CID 123302088

IUPAC1,2,6,7,7-pentamethylbicyclo[3.2.0]heptane
SMILESCC1C2CCC(C)C2(C)C1(C)C
InChIInChI=1S/C12H22/c1-8-6-7-10-9(2)11(3,4)12(8,10)5/h8-10H,6-7H2,1-5H3
InChIKeyIAJZOZJEYKZYKU-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.71
Rot. Bonds

About 1,2,6,7,7-pentamethylbicyclo[3.2.0]heptane

1,2,6,7,7-pentamethylbicyclo[3.2.0]heptane (PubChem CID 123302088) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1,2,6,7,7-pentamethylbicyclo[3.2.0]heptane.

Molecular Properties

Compound Name1,2,6,7,7-pentamethylbicyclo[3.2.0]heptane
PubChem CID123302088
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1,2,6,7,7-pentamethylbicyclo[3.2.0]heptane
SMILESCC1C2CCC(C)C2(C)C1(C)C
InChIInChI=1S/C12H22/c1-8-6-7-10-9(2)11(3,4)12(8,10)5/h8-10H,6-7H2,1-5H3
InChIKeyIAJZOZJEYKZYKU-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 90723342
1,2,4,4,6,7,7-heptamethylbicyclo[3.2.1]octane
CID 123829130
2,2,3-trimethyl-3-(2-methylcyclopropyl)cyclopropan-1-amine
CID 130631379
3,6,6a-trimethyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
CID 135040130
(1S,3aS,4S,7aR)-1,4,7a-trimethyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 59130187
2,3,4,4,8-pentamethyl-8-(2-methylcyclobutyl)tricyclo[3.2.1.01,3]octane
CID 123524666
(1S,3R,6S,7S)-6,7,9,9-tetramethyl-2-oxatetracyclo[5.5.0.01,3.08,10]dodecane
CID 22832144
(3aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 154525596
(2S)-1,1,2-trimethylcyclobutane
CID 59954523
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
(1aS,4S,4aS,7S,7aS,7bR)-1,1,4,7-tetramethyl-2,3,4,4a,5,6,7,7b-octahydro-1aH-cyclopropa[e]azulen-7a-ol
CID 162899416

Frequently Asked Questions

What is the IUPAC name of 1,2,6,7,7-pentamethylbicyclo[3.2.0]heptane?
The IUPAC name of 1,2,6,7,7-pentamethylbicyclo[3.2.0]heptane (CID 123302088) is 1,2,6,7,7-pentamethylbicyclo[3.2.0]heptane.
What is the SMILES notation for 1,2,6,7,7-pentamethylbicyclo[3.2.0]heptane?
The canonical SMILES for 1,2,6,7,7-pentamethylbicyclo[3.2.0]heptane is CC1C2CCC(C)C2(C)C1(C)C.
What is the InChIKey of 1,2,6,7,7-pentamethylbicyclo[3.2.0]heptane?
The InChIKey is IAJZOZJEYKZYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-8-6-7-10-9(2)11(3,4)12(8,10)5/h8-10H,6-7H2,1-5H3.
What are the key properties of 1,2,6,7,7-pentamethylbicyclo[3.2.0]heptane?
1,2,6,7,7-pentamethylbicyclo[3.2.0]heptane has a molecular weight of 166.31 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6,7,7-pentamethylbicyclo[3.2.0]heptane is sourced from PubChem (CID 123302088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).