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

C17H26O2 — CID 15924075

IUPACethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undecane-2-carboxylate
SMILESC=C1CC2CC(C)(C)CC23C1CCC3C(=O)OCC
InChIInChI=1S/C17H26O2/c1-5-19-15(18)14-7-6-13-11(2)8-12-9-16(3,4)10-17(12,13)14/h12-14H,2,5-10H2,1,3-4H3
InChIKeyBBLZRGHJIAKCMK-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.96
Rot. Bonds2

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

ethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undecane-2-carboxylate (PubChem CID 15924075) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is ethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undecane-2-carboxylate.

Molecular Properties

Compound Nameethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undecane-2-carboxylate
PubChem CID15924075
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Nameethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undecane-2-carboxylate
SMILESC=C1CC2CC(C)(C)CC23C1CCC3C(=O)OCC
InChIInChI=1S/C17H26O2/c1-5-19-15(18)14-7-6-13-11(2)8-12-9-16(3,4)10-17(12,13)14/h12-14H,2,5-10H2,1,3-4H3
InChIKeyBBLZRGHJIAKCMK-UHFFFAOYSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3aS,3bS,5S,6aR,7aS)-3,3,7a-trimethyl-4-methylidene-1,2,3a,3b,5,6,6a,7-octahydrocyclopenta[a]pentalen-5-yl] acetate
CID 24862281
methyl (1R,2S,5S,8R)-2,6,8-trimethyltricyclo[6.3.0.01,5]undec-6-ene-5-carboxylate
CID 15479093
Penarine A
CID 156580377
methyl (1S,2S,5S,8R)-2,6,8-trimethyltricyclo[6.3.0.01,5]undec-6-ene-5-carboxylate
CID 162960156
triethyl (1R,3aS,6aR)-3-methylidene-1,2,3a,4,6,6a-hexahydropentalene-1,5,5-tricarboxylate
CID 11702816
ethyl 2-[(1S,3S)-1-methyl-2-methylidene-3-propan-2-ylcyclopentyl]acetate
CID 13572317
Ethyl 4-methylidenetricyclo[3.3.3.01,5]undecane-2-carboxylate
CID 14143762
diethyl (1S,5R)-tricyclo[6.3.0.01,5]undec-8-ene-3,3-dicarboxylate
CID 56839833
(4aR,6aS,9aS)-4a,6,6-trimethyl-9-methylidene-1,4,5,6a,7,8-hexahydropentaleno[6a,1-c]pyran-3-one
CID 102134107
triethyl (1R,3aS,6aS)-3a-methyl-3-methylidene-2,4,6,6a-tetrahydro-1H-pentalene-1,5,5-tricarboxylate
CID 138978749
[(3aS,3bS,4S,6aR)-7,7-dimethyl-2,3,3a,3b,4,5,6,6a-octahydrocyclopenta[a]pentalen-4-yl] hexanoate
CID 330264
methyl (3bR,6aS,7R,7aR)-5,5-dimethyl-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[b]pentalene-7-carboxylate
CID 338652

Frequently Asked Questions

What is the IUPAC name of ethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undecane-2-carboxylate?
The IUPAC name of ethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undecane-2-carboxylate (CID 15924075) is ethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undecane-2-carboxylate.
What is the SMILES notation for ethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undecane-2-carboxylate?
The canonical SMILES for ethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undecane-2-carboxylate is C=C1CC2CC(C)(C)CC23C1CCC3C(=O)OCC.
What is the InChIKey of ethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undecane-2-carboxylate?
The InChIKey is BBLZRGHJIAKCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-5-19-15(18)14-7-6-13-11(2)8-12-9-16(3,4)10-17(12,13)14/h12-14H,2,5-10H2,1,3-4H3.
What are the key properties of ethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undecane-2-carboxylate?
ethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undecane-2-carboxylate has a molecular weight of 262.39 g/mol, XLogP of 3.96, 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]undecane-2-carboxylate is sourced from PubChem (CID 15924075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).