3-methylbicyclo[4.1.0]heptane

C8H14 — CID 557049

IUPAC3-methylbicyclo[4.1.0]heptane
SMILESCC1CCC2CC2C1
InChIInChI=1S/C8H14/c1-6-2-3-7-5-8(7)4-6/h6-8H,2-5H2,1H3
InChIKeyQYCGHFOTMYKMIY-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.44
Rot. Bonds

About 3-methylbicyclo[4.1.0]heptane

3-methylbicyclo[4.1.0]heptane (PubChem CID 557049) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 3-methylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-methylbicyclo[4.1.0]heptane
PubChem CID557049
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name3-methylbicyclo[4.1.0]heptane
SMILESCC1CCC2CC2C1
InChIInChI=1S/C8H14/c1-6-2-3-7-5-8(7)4-6/h6-8H,2-5H2,1H3
InChIKeyQYCGHFOTMYKMIY-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Carane
CID 79043
Bicyclo(4.1.0)heptane, 3,7,7-trimethyl-, (1alpha,3alpha,6alpha)-
CID 12302439
cis-Carane
CID 12302437
Bicyclo[4.1.0]heptane, 2-methyl-
CID 549097
(+)-trans-Caran
CID 12302438
Tricyclo[3.3.1.02,8]nonane
CID 85783993
7-Pentylbicyclo[4.1.0]heptane
CID 39069
3-Methyl-7-pentylbicyclo[4.1.0]heptane
CID 557165
2-Fluoro-4-methylbicyclo[4.1.0]heptane
CID 123832026
(1S,6R)-7,7-difluoro-3-methylbicyclo[4.1.0]heptane
CID 143846852
7-Butylbicyclo[4.1.0]heptane
CID 557526
(1S,3S,6R)-3,7,7-trimethylbicyclo[4.1.0]heptane
CID 9942162

Frequently Asked Questions

What is the IUPAC name of 3-methylbicyclo[4.1.0]heptane?
The IUPAC name of 3-methylbicyclo[4.1.0]heptane (CID 557049) is 3-methylbicyclo[4.1.0]heptane.
What is the SMILES notation for 3-methylbicyclo[4.1.0]heptane?
The canonical SMILES for 3-methylbicyclo[4.1.0]heptane is CC1CCC2CC2C1.
What is the InChIKey of 3-methylbicyclo[4.1.0]heptane?
The InChIKey is QYCGHFOTMYKMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-6-2-3-7-5-8(7)4-6/h6-8H,2-5H2,1H3.
What are the key properties of 3-methylbicyclo[4.1.0]heptane?
3-methylbicyclo[4.1.0]heptane has a molecular weight of 110.20 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbicyclo[4.1.0]heptane is sourced from PubChem (CID 557049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).