ethyl 2,2-dicyclopropylcyclopropane-1-carboxylate

C12H18O2 — CID 13461349

IUPACethyl 2,2-dicyclopropylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1(C1CC1)C1CC1
InChIInChI=1S/C12H18O2/c1-2-14-11(13)10-7-12(10,8-3-4-8)9-5-6-9/h8-10H,2-7H2,1H3
InChIKeyBRNFJJMODCPJLR-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.38
Rot. Bonds4

About ethyl 2,2-dicyclopropylcyclopropane-1-carboxylate

ethyl 2,2-dicyclopropylcyclopropane-1-carboxylate (PubChem CID 13461349) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is ethyl 2,2-dicyclopropylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,2-dicyclopropylcyclopropane-1-carboxylate
PubChem CID13461349
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Nameethyl 2,2-dicyclopropylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1(C1CC1)C1CC1
InChIInChI=1S/C12H18O2/c1-2-14-11(13)10-7-12(10,8-3-4-8)9-5-6-9/h8-10H,2-7H2,1H3
InChIKeyBRNFJJMODCPJLR-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-dicyclopropylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 2,2-dicyclopropylcyclopropane-1-carboxylate (CID 13461349) is ethyl 2,2-dicyclopropylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2,2-dicyclopropylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2,2-dicyclopropylcyclopropane-1-carboxylate is CCOC(=O)C1CC1(C1CC1)C1CC1.
What is the InChIKey of ethyl 2,2-dicyclopropylcyclopropane-1-carboxylate?
The InChIKey is BRNFJJMODCPJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-2-14-11(13)10-7-12(10,8-3-4-8)9-5-6-9/h8-10H,2-7H2,1H3.
What are the key properties of ethyl 2,2-dicyclopropylcyclopropane-1-carboxylate?
ethyl 2,2-dicyclopropylcyclopropane-1-carboxylate has a molecular weight of 194.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-dicyclopropylcyclopropane-1-carboxylate is sourced from PubChem (CID 13461349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).