[1-[1-(2-ethylhexoxy)cyclopropyl]cyclopropyl] prop-2-enoate

C17H28O3 — CID 67371786

IUPAC[1-[1-(2-ethylhexoxy)cyclopropyl]cyclopropyl] prop-2-enoate
SMILESC=CC(=O)OC1(C2(OCC(CC)CCCC)CC2)CC1
InChIInChI=1S/C17H28O3/c1-4-7-8-14(5-2)13-19-16(9-10-16)17(11-12-17)20-15(18)6-3/h6,14H,3-5,7-13H2,1-2H3
InChIKeyHNPOVFYBTXTFPF-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.01
Rot. Bonds10

About [1-[1-(2-ethylhexoxy)cyclopropyl]cyclopropyl] prop-2-enoate

[1-[1-(2-ethylhexoxy)cyclopropyl]cyclopropyl] prop-2-enoate (PubChem CID 67371786) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is [1-[1-(2-ethylhexoxy)cyclopropyl]cyclopropyl] prop-2-enoate.

Molecular Properties

Compound Name[1-[1-(2-ethylhexoxy)cyclopropyl]cyclopropyl] prop-2-enoate
PubChem CID67371786
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name[1-[1-(2-ethylhexoxy)cyclopropyl]cyclopropyl] prop-2-enoate
SMILESC=CC(=O)OC1(C2(OCC(CC)CCCC)CC2)CC1
InChIInChI=1S/C17H28O3/c1-4-7-8-14(5-2)13-19-16(9-10-16)17(11-12-17)20-15(18)6-3/h6,14H,3-5,7-13H2,1-2H3
InChIKeyHNPOVFYBTXTFPF-UHFFFAOYSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-ethylhexyl] prop-2-enoate
CID 6994086
2-ethylhexyl prop-2-enoate;heptyl prop-2-enoate
CID 19881997
2-ethylhexyl prop-2-enoate;hexyl prop-2-enoate
CID 87522127
4-O-(2-ethylhexyl) 1-O-(2-methylpropyl) 1-prop-2-enoyloxycyclohexane-1,4-dicarboxylate
CID 174499423
2-butyldodecyl prop-2-enoate
CID 141303705
ethenyl acetate;2-ethylhexyl prop-2-enoate;prop-2-enamide
CID 6453924
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
CID 42587879
2-(4-ethyl-2-prop-2-enoyloxyoctoxy)ethyl prop-2-enoate
CID 163216514
2-octyldecyl prop-2-enoate
CID 71353023
2-ethylhexyl prop-2-enoate;hexyl 2-methylprop-2-enoate
CID 88669933
5-ethylhexadecan-7-yl prop-2-enoate
CID 150115534
2-ethylhexyl-λ2-stannane;tris(prop-2-enoic acid)
CID 173132844

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2-ethylhexoxy)cyclopropyl]cyclopropyl] prop-2-enoate?
The IUPAC name of [1-[1-(2-ethylhexoxy)cyclopropyl]cyclopropyl] prop-2-enoate (CID 67371786) is [1-[1-(2-ethylhexoxy)cyclopropyl]cyclopropyl] prop-2-enoate.
What is the SMILES notation for [1-[1-(2-ethylhexoxy)cyclopropyl]cyclopropyl] prop-2-enoate?
The canonical SMILES for [1-[1-(2-ethylhexoxy)cyclopropyl]cyclopropyl] prop-2-enoate is C=CC(=O)OC1(C2(OCC(CC)CCCC)CC2)CC1.
What is the InChIKey of [1-[1-(2-ethylhexoxy)cyclopropyl]cyclopropyl] prop-2-enoate?
The InChIKey is HNPOVFYBTXTFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-4-7-8-14(5-2)13-19-16(9-10-16)17(11-12-17)20-15(18)6-3/h6,14H,3-5,7-13H2,1-2H3.
What are the key properties of [1-[1-(2-ethylhexoxy)cyclopropyl]cyclopropyl] prop-2-enoate?
[1-[1-(2-ethylhexoxy)cyclopropyl]cyclopropyl] prop-2-enoate has a molecular weight of 280.41 g/mol, XLogP of 4.01, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2-ethylhexoxy)cyclopropyl]cyclopropyl] prop-2-enoate is sourced from PubChem (CID 67371786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).