3,4,7,7-tetramethylbicyclo[4.1.0]heptane

C11H20 — CID 14029513

IUPAC3,4,7,7-tetramethylbicyclo[4.1.0]heptane
SMILESCC1CC2C(CC1C)C2(C)C
InChIInChI=1S/C11H20/c1-7-5-9-10(6-8(7)2)11(9,3)4/h7-10H,5-6H2,1-4H3
InChIKeyVVWVKYAIPIBWDF-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.32
Rot. Bonds

About 3,4,7,7-tetramethylbicyclo[4.1.0]heptane

3,4,7,7-tetramethylbicyclo[4.1.0]heptane (PubChem CID 14029513) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 3,4,7,7-tetramethylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3,4,7,7-tetramethylbicyclo[4.1.0]heptane
PubChem CID14029513
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name3,4,7,7-tetramethylbicyclo[4.1.0]heptane
SMILESCC1CC2C(CC1C)C2(C)C
InChIInChI=1S/C11H20/c1-7-5-9-10(6-8(7)2)11(9,3)4/h7-10H,5-6H2,1-4H3
InChIKeyVVWVKYAIPIBWDF-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Carane
CID 79043
1-Isopropyl-1,4,5-trimethylcyclohexane
CID 252330
Bicyclo(4.1.0)heptane, 3,7,7-trimethyl-, (1alpha,3alpha,6alpha)-
CID 12302439
1,1,3,4-Tetramethylcyclohexane
CID 15102861
Tetracyclo(6.1.0.02,4.05,7)nonane, 3,3,6,6,9,9-hexamethyl-, (1alpha,2alpha,4alpha,5beta,7beta,8alpha)-
CID 142890
1-Methylbicyclo(4.1.0)heptane
CID 137602
2,4a,8,8-Tetramethyldecahydrocyclopropa[d]naphthalene
CID 579617
cis-Carane
CID 12302437
Aristolane
CID 6857473
4-Methylspiro[2.5]octane
CID 15329636
2-t-Butyl-4-methyl-1-isopropylcyclohexane
CID 22089335
1,2-Dimethyl-4-(t-butyl)-cyclohexane
CID 54196830

Frequently Asked Questions

What is the IUPAC name of 3,4,7,7-tetramethylbicyclo[4.1.0]heptane?
The IUPAC name of 3,4,7,7-tetramethylbicyclo[4.1.0]heptane (CID 14029513) is 3,4,7,7-tetramethylbicyclo[4.1.0]heptane.
What is the SMILES notation for 3,4,7,7-tetramethylbicyclo[4.1.0]heptane?
The canonical SMILES for 3,4,7,7-tetramethylbicyclo[4.1.0]heptane is CC1CC2C(CC1C)C2(C)C.
What is the InChIKey of 3,4,7,7-tetramethylbicyclo[4.1.0]heptane?
The InChIKey is VVWVKYAIPIBWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-7-5-9-10(6-8(7)2)11(9,3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of 3,4,7,7-tetramethylbicyclo[4.1.0]heptane?
3,4,7,7-tetramethylbicyclo[4.1.0]heptane has a molecular weight of 152.28 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7,7-tetramethylbicyclo[4.1.0]heptane is sourced from PubChem (CID 14029513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).