ethyl (1R)-2-octylcycloprop-2-ene-1-carboxylate

C14H24O2 — CID 11241595

IUPACethyl (1R)-2-octylcycloprop-2-ene-1-carboxylate
SMILESCCCCCCCCC1=C[C@H]1C(=O)OCC
InChIInChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-12-11-13(12)14(15)16-4-2/h11,13H,3-10H2,1-2H3/t13-/m1/s1
InChIKeyCQVKNFRIKBRUKI-CYBMUJFWSA-N
MW224.34 g/mol
LogP3.86
Rot. Bonds9

About ethyl (1R)-2-octylcycloprop-2-ene-1-carboxylate

ethyl (1R)-2-octylcycloprop-2-ene-1-carboxylate (PubChem CID 11241595) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is ethyl (1R)-2-octylcycloprop-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R)-2-octylcycloprop-2-ene-1-carboxylate
PubChem CID11241595
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameethyl (1R)-2-octylcycloprop-2-ene-1-carboxylate
SMILESCCCCCCCCC1=C[C@H]1C(=O)OCC
InChIInChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-12-11-13(12)14(15)16-4-2/h11,13H,3-10H2,1-2H3/t13-/m1/s1
InChIKeyCQVKNFRIKBRUKI-CYBMUJFWSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Citronellyl dodecanoate
CID 21263168
Citronellyl decanoate
CID 57353225
Chaulmoogric acid ethyl ester
CID 23615635
Hexyldecyl Oleate
CID 6433037
Octyldodecyl Oleate
CID 6436561
Isodecyl Oleate
CID 6436737
Ethylhexyl Oleate
CID 6438028
Butyloctyl Oleate
CID 71587487
Isostearyl Erucate
CID 91668147
Dioctyldodecyl Dimer Dilinoleate
CID 101761572
Ethyl 11-(cyclopent-2-en-1-yl)undecanoate
CID 19082
Isostearyl Linoleate
CID 16718441

Frequently Asked Questions

What is the IUPAC name of ethyl (1R)-2-octylcycloprop-2-ene-1-carboxylate?
The IUPAC name of ethyl (1R)-2-octylcycloprop-2-ene-1-carboxylate (CID 11241595) is ethyl (1R)-2-octylcycloprop-2-ene-1-carboxylate.
What is the SMILES notation for ethyl (1R)-2-octylcycloprop-2-ene-1-carboxylate?
The canonical SMILES for ethyl (1R)-2-octylcycloprop-2-ene-1-carboxylate is CCCCCCCCC1=C[C@H]1C(=O)OCC.
What is the InChIKey of ethyl (1R)-2-octylcycloprop-2-ene-1-carboxylate?
The InChIKey is CQVKNFRIKBRUKI-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-12-11-13(12)14(15)16-4-2/h11,13H,3-10H2,1-2H3/t13-/m1/s1.
What are the key properties of ethyl (1R)-2-octylcycloprop-2-ene-1-carboxylate?
ethyl (1R)-2-octylcycloprop-2-ene-1-carboxylate has a molecular weight of 224.34 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R)-2-octylcycloprop-2-ene-1-carboxylate is sourced from PubChem (CID 11241595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).