ethyl (2Z)-2-(2-benzylcyclopropylidene)hexanoate

C18H24O2 — CID 10333451

IUPACethyl (2Z)-2-(2-benzylcyclopropylidene)hexanoate
SMILESCCCC/C(C(=O)OCC)=C1\CC1Cc1ccccc1
InChIInChI=1S/C18H24O2/c1-3-5-11-16(18(19)20-4-2)17-13-15(17)12-14-9-7-6-8-10-14/h6-10,15H,3-5,11-13H2,1-2H3/b17-16-
InChIKeySCEUEROKOYCQJB-MSUUIHNZSA-N
MW272.39 g/mol
LogP4.30
Rot. Bonds7

About ethyl (2Z)-2-(2-benzylcyclopropylidene)hexanoate

ethyl (2Z)-2-(2-benzylcyclopropylidene)hexanoate (PubChem CID 10333451) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is ethyl (2Z)-2-(2-benzylcyclopropylidene)hexanoate.

Molecular Properties

Compound Nameethyl (2Z)-2-(2-benzylcyclopropylidene)hexanoate
PubChem CID10333451
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Nameethyl (2Z)-2-(2-benzylcyclopropylidene)hexanoate
SMILESCCCC/C(C(=O)OCC)=C1\CC1Cc1ccccc1
InChIInChI=1S/C18H24O2/c1-3-5-11-16(18(19)20-4-2)17-13-15(17)12-14-9-7-6-8-10-14/h6-10,15H,3-5,11-13H2,1-2H3/b17-16-
InChIKeySCEUEROKOYCQJB-MSUUIHNZSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(2-benzylcyclopropylidene)hexanoate?
The IUPAC name of ethyl (2Z)-2-(2-benzylcyclopropylidene)hexanoate (CID 10333451) is ethyl (2Z)-2-(2-benzylcyclopropylidene)hexanoate.
What is the SMILES notation for ethyl (2Z)-2-(2-benzylcyclopropylidene)hexanoate?
The canonical SMILES for ethyl (2Z)-2-(2-benzylcyclopropylidene)hexanoate is CCCC/C(C(=O)OCC)=C1\CC1Cc1ccccc1.
What is the InChIKey of ethyl (2Z)-2-(2-benzylcyclopropylidene)hexanoate?
The InChIKey is SCEUEROKOYCQJB-MSUUIHNZSA-N. The full InChI is InChI=1S/C18H24O2/c1-3-5-11-16(18(19)20-4-2)17-13-15(17)12-14-9-7-6-8-10-14/h6-10,15H,3-5,11-13H2,1-2H3/b17-16-.
What are the key properties of ethyl (2Z)-2-(2-benzylcyclopropylidene)hexanoate?
ethyl (2Z)-2-(2-benzylcyclopropylidene)hexanoate has a molecular weight of 272.39 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(2-benzylcyclopropylidene)hexanoate is sourced from PubChem (CID 10333451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).