1-propylbicyclo[4.1.0]heptane

C10H18 — CID 123243464

IUPAC1-propylbicyclo[4.1.0]heptane
SMILESCCCC12CCCCC1C2
InChIInChI=1S/C10H18/c1-2-6-10-7-4-3-5-9(10)8-10/h9H,2-8H2,1H3
InChIKeyDKUPOMKQYPGGPP-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.37
Rot. Bonds2

About 1-propylbicyclo[4.1.0]heptane

1-propylbicyclo[4.1.0]heptane (PubChem CID 123243464) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1-propylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1-propylbicyclo[4.1.0]heptane
PubChem CID123243464
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1-propylbicyclo[4.1.0]heptane
SMILESCCCC12CCCCC1C2
InChIInChI=1S/C10H18/c1-2-6-10-7-4-3-5-9(10)8-10/h9H,2-8H2,1H3
InChIKeyDKUPOMKQYPGGPP-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-propylbicyclo[4.1.0]heptane?
The IUPAC name of 1-propylbicyclo[4.1.0]heptane (CID 123243464) is 1-propylbicyclo[4.1.0]heptane.
What is the SMILES notation for 1-propylbicyclo[4.1.0]heptane?
The canonical SMILES for 1-propylbicyclo[4.1.0]heptane is CCCC12CCCCC1C2.
What is the InChIKey of 1-propylbicyclo[4.1.0]heptane?
The InChIKey is DKUPOMKQYPGGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-2-6-10-7-4-3-5-9(10)8-10/h9H,2-8H2,1H3.
What are the key properties of 1-propylbicyclo[4.1.0]heptane?
1-propylbicyclo[4.1.0]heptane has a molecular weight of 138.25 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylbicyclo[4.1.0]heptane is sourced from PubChem (CID 123243464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).