ethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undec-2-ene-2-carboxylate

C17H24O2 — CID 15924070

IUPACethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undec-2-ene-2-carboxylate
SMILESC=C1CC2CC(C)(C)CC23C(C(=O)OCC)=CCC13
InChIInChI=1S/C17H24O2/c1-5-19-15(18)14-7-6-13-11(2)8-12-9-16(3,4)10-17(12,13)14/h7,12-13H,2,5-6,8-10H2,1,3-4H3
InChIKeyVCKVOJMKODDMFI-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.88
Rot. Bonds2

About ethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undec-2-ene-2-carboxylate

ethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undec-2-ene-2-carboxylate (PubChem CID 15924070) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is ethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undec-2-ene-2-carboxylate.

Molecular Properties

Compound Nameethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undec-2-ene-2-carboxylate
PubChem CID15924070
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Nameethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undec-2-ene-2-carboxylate
SMILESC=C1CC2CC(C)(C)CC23C(C(=O)OCC)=CCC13
InChIInChI=1S/C17H24O2/c1-5-19-15(18)14-7-6-13-11(2)8-12-9-16(3,4)10-17(12,13)14/h7,12-13H,2,5-6,8-10H2,1,3-4H3
InChIKeyVCKVOJMKODDMFI-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undec-2-ene-2-carboxylate with MolForge

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Related Compounds

2,10,10-Trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid
CID 45359512
(1S,3aS,5aR,8aS)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid
CID 46937034
Subergorgic Acid Methyl Ester
CID 9992881
methyl (1R,2S,5R,8R,9S,11S)-11-acetyloxy-2,5,9-trimethyltricyclo[6.3.0.01,5]undec-3-ene-3-carboxylate
CID 11973316
(4S,5S,8R,10E,13R)-8,11-dimethyl-5-prop-1-en-2-yl-14-oxatricyclo[11.2.1.04,8]hexadeca-1(16),10-dien-15-one
CID 15450497
methyl (1R,5R,8S,9R)-2,5,9-trimethyl-4-oxotricyclo[6.3.0.01,5]undec-2-ene-3-carboxylate
CID 14682634
methyl (1R,2S,5S,8R)-2,6,8-trimethyltricyclo[6.3.0.01,5]undec-6-ene-5-carboxylate
CID 15479093
1-Deoxypentalenate
CID 70678894
[(3aR,5E,9Z,12aS)-3a,6-dimethyl-2-oxo-1-propan-2-ylidene-4,7,8,11,12,12a-hexahydro-3H-cyclopenta[11]annulen-10-yl]methyl acetate
CID 164615288
1-Deoxypentalenic acid
CID 10988200
[(1R,2S,5S,8S,9R)-2,5,9-trimethyl-3-tricyclo[6.3.0.01,5]undec-3-enyl]methyl acetate
CID 11043584
methyl (1S,2S,5R,8R,9S)-2,5,9-trimethyl-11-oxotricyclo[6.3.0.01,5]undec-3-ene-3-carboxylate
CID 12040935

Frequently Asked Questions

What is the IUPAC name of ethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undec-2-ene-2-carboxylate?
The IUPAC name of ethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undec-2-ene-2-carboxylate (CID 15924070) is ethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undec-2-ene-2-carboxylate.
What is the SMILES notation for ethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undec-2-ene-2-carboxylate?
The canonical SMILES for ethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undec-2-ene-2-carboxylate is C=C1CC2CC(C)(C)CC23C(C(=O)OCC)=CCC13.
What is the InChIKey of ethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undec-2-ene-2-carboxylate?
The InChIKey is VCKVOJMKODDMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-5-19-15(18)14-7-6-13-11(2)8-12-9-16(3,4)10-17(12,13)14/h7,12-13H,2,5-6,8-10H2,1,3-4H3.
What are the key properties of ethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undec-2-ene-2-carboxylate?
ethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undec-2-ene-2-carboxylate has a molecular weight of 260.38 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undec-2-ene-2-carboxylate is sourced from PubChem (CID 15924070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).