(1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane

C10H18 — CID 144517019

IUPAC(1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane
SMILESCC[C@@H]1CC(C)C[C@@H]2C[C@H]12
InChIInChI=1S/C10H18/c1-3-8-4-7(2)5-9-6-10(8)9/h7-10H,3-6H2,1-2H3/t7?,8-,9-,10-/m1/s1
InChIKeyJYWNCOFCDTVDSS-NPTNVHDASA-N
MW138.25 g/mol
LogP3.08
Rot. Bonds1

About (1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane

(1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane (PubChem CID 144517019) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane
PubChem CID144517019
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane
SMILESCC[C@@H]1CC(C)C[C@@H]2C[C@H]12
InChIInChI=1S/C10H18/c1-3-8-4-7(2)5-9-6-10(8)9/h7-10H,3-6H2,1-2H3/t7?,8-,9-,10-/m1/s1
InChIKeyJYWNCOFCDTVDSS-NPTNVHDASA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane?
The IUPAC name of (1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane (CID 144517019) is (1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane.
What is the SMILES notation for (1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane?
The canonical SMILES for (1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane is CC[C@@H]1CC(C)C[C@@H]2C[C@H]12.
What is the InChIKey of (1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane?
The InChIKey is JYWNCOFCDTVDSS-NPTNVHDASA-N. The full InChI is InChI=1S/C10H18/c1-3-8-4-7(2)5-9-6-10(8)9/h7-10H,3-6H2,1-2H3/t7?,8-,9-,10-/m1/s1.
What are the key properties of (1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane?
(1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane has a molecular weight of 138.25 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane is sourced from PubChem (CID 144517019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).