2-ethylhexyl 6-methylbicyclo[4.1.0]heptane-3-carboxylate

C17H30O2 — CID 143295957

IUPAC2-ethylhexyl 6-methylbicyclo[4.1.0]heptane-3-carboxylate
SMILESCCCCC(CC)COC(=O)C1CCC2(C)CC2C1
InChIInChI=1S/C17H30O2/c1-4-6-7-13(5-2)12-19-16(18)14-8-9-17(3)11-15(17)10-14/h13-15H,4-12H2,1-3H3
InChIKeyWSPOWVBQNBLZHV-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.57
Rot. Bonds7

About 2-ethylhexyl 6-methylbicyclo[4.1.0]heptane-3-carboxylate

2-ethylhexyl 6-methylbicyclo[4.1.0]heptane-3-carboxylate (PubChem CID 143295957) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 2-ethylhexyl 6-methylbicyclo[4.1.0]heptane-3-carboxylate.

Molecular Properties

Compound Name2-ethylhexyl 6-methylbicyclo[4.1.0]heptane-3-carboxylate
PubChem CID143295957
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name2-ethylhexyl 6-methylbicyclo[4.1.0]heptane-3-carboxylate
SMILESCCCCC(CC)COC(=O)C1CCC2(C)CC2C1
InChIInChI=1S/C17H30O2/c1-4-6-7-13(5-2)12-19-16(18)14-8-9-17(3)11-15(17)10-14/h13-15H,4-12H2,1-3H3
InChIKeyWSPOWVBQNBLZHV-UHFFFAOYSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethylhexyl 6-methylbicyclo[4.1.0]heptane-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris(2-ethylhexyl) cyclopentane-1,2,4-tricarboxylate
CID 174160323
2-ethylhexyl 2-methylpiperidine-4-carboxylate
CID 106743792
1-O-(2-ethylhexyl) 3-O-hexyl cyclohexane-1,3-dicarboxylate
CID 66984438
1-O-(2-ethylhexyl) 4-O-propan-2-yl cyclohexane-1,4-dicarboxylate
CID 66984605
2-ethylhexyl 4-[(R)-2-ethylhexoxy(hydroxy)methyl]cyclohexane-1-carboxylate
CID 138600539
1-O-(2-butoxyethyl) 4-O-(2-ethylhexyl) cyclohexane-1,4-dicarboxylate
CID 155455065
trans-bis(2-ethylhexyl) (1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 175056802
4-O-(2-ethylhexyl) 1-O-(2-methylpropyl) 1-prop-2-enoyloxycyclohexane-1,4-dicarboxylate
CID 174499423
2-ethylhexyl 3-[2-butoxyethoxy(hydroxy)methyl]cyclohexane-1-carboxylate
CID 155455206
2-ethylhexyl 4,7-dibutyl-4,7-diethyl-1,10-dioxo-2,9-dioxadispiro[4.0.46.45]tetradecane-12-carboxylate
CID 59030152
2-ethylhexyl 1-methyl-5-oxopyrrolidine-3-carboxylate
CID 54759486
2-octyldodecyl cyclopentanecarboxylate
CID 141463974

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 6-methylbicyclo[4.1.0]heptane-3-carboxylate?
The IUPAC name of 2-ethylhexyl 6-methylbicyclo[4.1.0]heptane-3-carboxylate (CID 143295957) is 2-ethylhexyl 6-methylbicyclo[4.1.0]heptane-3-carboxylate.
What is the SMILES notation for 2-ethylhexyl 6-methylbicyclo[4.1.0]heptane-3-carboxylate?
The canonical SMILES for 2-ethylhexyl 6-methylbicyclo[4.1.0]heptane-3-carboxylate is CCCCC(CC)COC(=O)C1CCC2(C)CC2C1.
What is the InChIKey of 2-ethylhexyl 6-methylbicyclo[4.1.0]heptane-3-carboxylate?
The InChIKey is WSPOWVBQNBLZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-4-6-7-13(5-2)12-19-16(18)14-8-9-17(3)11-15(17)10-14/h13-15H,4-12H2,1-3H3.
What are the key properties of 2-ethylhexyl 6-methylbicyclo[4.1.0]heptane-3-carboxylate?
2-ethylhexyl 6-methylbicyclo[4.1.0]heptane-3-carboxylate has a molecular weight of 266.42 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 6-methylbicyclo[4.1.0]heptane-3-carboxylate is sourced from PubChem (CID 143295957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).