1,6-dimethylbicyclo[4.1.0]heptane

C9H16 — CID 12714126

IUPAC1,6-dimethylbicyclo[4.1.0]heptane
SMILESCC12CCCCC1(C)C2
InChIInChI=1S/C9H16/c1-8-5-3-4-6-9(8,2)7-8/h3-7H2,1-2H3
InChIKeyMXQRIHPXVZSKQT-UHFFFAOYSA-N
MW124.23 g/mol
LogP2.98
Rot. Bonds

About 1,6-dimethylbicyclo[4.1.0]heptane

1,6-dimethylbicyclo[4.1.0]heptane (PubChem CID 12714126) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1,6-dimethylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1,6-dimethylbicyclo[4.1.0]heptane
PubChem CID12714126
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1,6-dimethylbicyclo[4.1.0]heptane
SMILESCC12CCCCC1(C)C2
InChIInChI=1S/C9H16/c1-8-5-3-4-6-9(8,2)7-8/h3-7H2,1-2H3
InChIKeyMXQRIHPXVZSKQT-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylbicyclo[4.1.0]heptane?
The IUPAC name of 1,6-dimethylbicyclo[4.1.0]heptane (CID 12714126) is 1,6-dimethylbicyclo[4.1.0]heptane.
What is the SMILES notation for 1,6-dimethylbicyclo[4.1.0]heptane?
The canonical SMILES for 1,6-dimethylbicyclo[4.1.0]heptane is CC12CCCCC1(C)C2.
What is the InChIKey of 1,6-dimethylbicyclo[4.1.0]heptane?
The InChIKey is MXQRIHPXVZSKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-8-5-3-4-6-9(8,2)7-8/h3-7H2,1-2H3.
What are the key properties of 1,6-dimethylbicyclo[4.1.0]heptane?
1,6-dimethylbicyclo[4.1.0]heptane has a molecular weight of 124.23 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylbicyclo[4.1.0]heptane is sourced from PubChem (CID 12714126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).