ethyl (6S,8R,10S)-2,6,10-trimethyltricyclo[6.3.0.03,6]undeca-1(11),2-diene-10-carboxylate

C17H24O2 — CID 10934230

IUPACethyl (6S,8R,10S)-2,6,10-trimethyltricyclo[6.3.0.03,6]undeca-1(11),2-diene-10-carboxylate
SMILESCCOC(=O)[C@]1(C)C=C2C(C)=C3CC[C@@]3(C)C[C@@H]2C1
InChIInChI=1S/C17H24O2/c1-5-19-15(18)17(4)9-12-8-16(3)7-6-14(16)11(2)13(12)10-17/h10,12H,5-9H2,1-4H3/t12-,16+,17+/m1/s1
InChIKeyUZXDIDNZRVMXRQ-DQYPLSBCSA-N
MW260.38 g/mol
LogP4.02
Rot. Bonds2

About ethyl (6S,8R,10S)-2,6,10-trimethyltricyclo[6.3.0.03,6]undeca-1(11),2-diene-10-carboxylate

ethyl (6S,8R,10S)-2,6,10-trimethyltricyclo[6.3.0.03,6]undeca-1(11),2-diene-10-carboxylate (PubChem CID 10934230) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is ethyl (6S,8R,10S)-2,6,10-trimethyltricyclo[6.3.0.03,6]undeca-1(11),2-diene-10-carboxylate.

Molecular Properties

Compound Nameethyl (6S,8R,10S)-2,6,10-trimethyltricyclo[6.3.0.03,6]undeca-1(11),2-diene-10-carboxylate
PubChem CID10934230
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Nameethyl (6S,8R,10S)-2,6,10-trimethyltricyclo[6.3.0.03,6]undeca-1(11),2-diene-10-carboxylate
SMILESCCOC(=O)[C@]1(C)C=C2C(C)=C3CC[C@@]3(C)C[C@@H]2C1
InChIInChI=1S/C17H24O2/c1-5-19-15(18)17(4)9-12-8-16(3)7-6-14(16)11(2)13(12)10-17/h10,12H,5-9H2,1-4H3/t12-,16+,17+/m1/s1
InChIKeyUZXDIDNZRVMXRQ-DQYPLSBCSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl (6S,8R,10S)-2,6,10-trimethyltricyclo[6.3.0.03,6]undeca-1(11),2-diene-10-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl (6S,8R,10S)-2,6,10-trimethyltricyclo[6.3.0.03,6]undeca-1(11),2-diene-10-carboxylate?
The IUPAC name of ethyl (6S,8R,10S)-2,6,10-trimethyltricyclo[6.3.0.03,6]undeca-1(11),2-diene-10-carboxylate (CID 10934230) is ethyl (6S,8R,10S)-2,6,10-trimethyltricyclo[6.3.0.03,6]undeca-1(11),2-diene-10-carboxylate.
What is the SMILES notation for ethyl (6S,8R,10S)-2,6,10-trimethyltricyclo[6.3.0.03,6]undeca-1(11),2-diene-10-carboxylate?
The canonical SMILES for ethyl (6S,8R,10S)-2,6,10-trimethyltricyclo[6.3.0.03,6]undeca-1(11),2-diene-10-carboxylate is CCOC(=O)[C@]1(C)C=C2C(C)=C3CC[C@@]3(C)C[C@@H]2C1.
What is the InChIKey of ethyl (6S,8R,10S)-2,6,10-trimethyltricyclo[6.3.0.03,6]undeca-1(11),2-diene-10-carboxylate?
The InChIKey is UZXDIDNZRVMXRQ-DQYPLSBCSA-N. The full InChI is InChI=1S/C17H24O2/c1-5-19-15(18)17(4)9-12-8-16(3)7-6-14(16)11(2)13(12)10-17/h10,12H,5-9H2,1-4H3/t12-,16+,17+/m1/s1.
What are the key properties of ethyl (6S,8R,10S)-2,6,10-trimethyltricyclo[6.3.0.03,6]undeca-1(11),2-diene-10-carboxylate?
ethyl (6S,8R,10S)-2,6,10-trimethyltricyclo[6.3.0.03,6]undeca-1(11),2-diene-10-carboxylate has a molecular weight of 260.38 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6S,8R,10S)-2,6,10-trimethyltricyclo[6.3.0.03,6]undeca-1(11),2-diene-10-carboxylate is sourced from PubChem (CID 10934230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).