ethyl 3,3-di(cyclopenten-1-yl)-2-methyloxirane-2-carboxylate

C16H22O3 — CID 141368582

IUPACethyl 3,3-di(cyclopenten-1-yl)-2-methyloxirane-2-carboxylate
SMILESCCOC(=O)C1(C)OC1(C1=CCCC1)C1=CCCC1
InChIInChI=1S/C16H22O3/c1-3-18-14(17)15(2)16(19-15,12-8-4-5-9-12)13-10-6-7-11-13/h8,10H,3-7,9,11H2,1-2H3
InChIKeyHAULWMKBWCNMKP-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.30
Rot. Bonds4

About ethyl 3,3-di(cyclopenten-1-yl)-2-methyloxirane-2-carboxylate

ethyl 3,3-di(cyclopenten-1-yl)-2-methyloxirane-2-carboxylate (PubChem CID 141368582) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 3,3-di(cyclopenten-1-yl)-2-methyloxirane-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,3-di(cyclopenten-1-yl)-2-methyloxirane-2-carboxylate
PubChem CID141368582
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Nameethyl 3,3-di(cyclopenten-1-yl)-2-methyloxirane-2-carboxylate
SMILESCCOC(=O)C1(C)OC1(C1=CCCC1)C1=CCCC1
InChIInChI=1S/C16H22O3/c1-3-18-14(17)15(2)16(19-15,12-8-4-5-9-12)13-10-6-7-11-13/h8,10H,3-7,9,11H2,1-2H3
InChIKeyHAULWMKBWCNMKP-UHFFFAOYSA-N
XLogP3.30
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(cyclopenten-1-yl)cyclopentane-1-carboxylate
CID 11819967
diethyl 4,8-dihydroxy-3,9-dimethyl-2,10-dioxatetracyclo[6.5.2.04,14.011,15]pentadeca-1(14),11(15),12-triene-3,9-dicarboxylate
CID 14687004
diethyl cyclohepta-2,7-diene-1,2-dicarboxylate
CID 66809712
ethyl 3-(cyclopenten-1-yl)prop-2-ynoate
CID 102325118
ethyl 1,3-dimethylcyclopent-3-ene-1-carboxylate
CID 158121003
ethyl cycloundecene-1-carboxylate
CID 154164177
ethyl 2-(cyclopenten-1-yl)-2-methylsulfonyloxyacetate
CID 15070290
diethyl 4-methylcyclohept-3-ene-1,1-dicarboxylate
CID 13423304
ethyl 2-[(6-oxocyclohexen-1-yl)methylsulfanyl]acetate
CID 125484028
ethyl 4-(cyclopenten-1-yl)-3-oxobutanoate
CID 154212044
ethyl 2-methyl-1,1,3-trioxothiane-2-carboxylate
CID 155820508
ethyl (1S)-1-methyl-2-oxocyclohexane-1-carboxylate
CID 67188808

Frequently Asked Questions

What is the IUPAC name of ethyl 3,3-di(cyclopenten-1-yl)-2-methyloxirane-2-carboxylate?
The IUPAC name of ethyl 3,3-di(cyclopenten-1-yl)-2-methyloxirane-2-carboxylate (CID 141368582) is ethyl 3,3-di(cyclopenten-1-yl)-2-methyloxirane-2-carboxylate.
What is the SMILES notation for ethyl 3,3-di(cyclopenten-1-yl)-2-methyloxirane-2-carboxylate?
The canonical SMILES for ethyl 3,3-di(cyclopenten-1-yl)-2-methyloxirane-2-carboxylate is CCOC(=O)C1(C)OC1(C1=CCCC1)C1=CCCC1.
What is the InChIKey of ethyl 3,3-di(cyclopenten-1-yl)-2-methyloxirane-2-carboxylate?
The InChIKey is HAULWMKBWCNMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-3-18-14(17)15(2)16(19-15,12-8-4-5-9-12)13-10-6-7-11-13/h8,10H,3-7,9,11H2,1-2H3.
What are the key properties of ethyl 3,3-di(cyclopenten-1-yl)-2-methyloxirane-2-carboxylate?
ethyl 3,3-di(cyclopenten-1-yl)-2-methyloxirane-2-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3-di(cyclopenten-1-yl)-2-methyloxirane-2-carboxylate is sourced from PubChem (CID 141368582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).