(2-propan-2-ylidene-3,3a,4,5,6,7-hexahydroinden-1-yl) 2,2-dimethylpropanoate

C17H26O2 — CID 62705870

IUPAC(2-propan-2-ylidene-3,3a,4,5,6,7-hexahydroinden-1-yl) 2,2-dimethylpropanoate
SMILESCC(C)=C1CC2CCCCC2=C1OC(=O)C(C)(C)C
InChIInChI=1S/C17H26O2/c1-11(2)14-10-12-8-6-7-9-13(12)15(14)19-16(18)17(3,4)5/h12H,6-10H2,1-5H3
InChIKeyWLKOTBPKQLYQAC-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.76
Rot. Bonds1

About (2-propan-2-ylidene-3,3a,4,5,6,7-hexahydroinden-1-yl) 2,2-dimethylpropanoate

(2-propan-2-ylidene-3,3a,4,5,6,7-hexahydroinden-1-yl) 2,2-dimethylpropanoate (PubChem CID 62705870) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (2-propan-2-ylidene-3,3a,4,5,6,7-hexahydroinden-1-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2-propan-2-ylidene-3,3a,4,5,6,7-hexahydroinden-1-yl) 2,2-dimethylpropanoate
PubChem CID62705870
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(2-propan-2-ylidene-3,3a,4,5,6,7-hexahydroinden-1-yl) 2,2-dimethylpropanoate
SMILESCC(C)=C1CC2CCCCC2=C1OC(=O)C(C)(C)C
InChIInChI=1S/C17H26O2/c1-11(2)14-10-12-8-6-7-9-13(12)15(14)19-16(18)17(3,4)5/h12H,6-10H2,1-5H3
InChIKeyWLKOTBPKQLYQAC-UHFFFAOYSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-propan-2-ylidene-3,3a,4,5,6,7-hexahydroinden-1-yl) 2,2-dimethylpropanoate with MolForge

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Related Compounds

(2-oxo-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl) acetate
CID 102240957
1,2,3,5,6,7,8,8a-octahydroazulen-4-yl acetate
CID 539828
6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl 2,2-dimethylpropanoate
CID 101012492
methyl 2-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanoate
CID 43726050
[(1Z)-1-[2-[methyl(diphenyl)silyl]cyclohexylidene]ethyl] 2,2-dimethylpropanoate
CID 101449535
4,5-dihydro-1,3-thiazol-2-yl 2,2-dimethylpropanoate
CID 174689860
tert-butyl 2,2-dimethylpropanoate;bis(cyclohexyl 2,2-dimethylpropanoate)
CID 159925265
2-[(2R)-2-hydroxy-3-oxobutan-2-yl]cyclohexan-1-one
CID 14936116
2,2-dimethyl-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]propanamide
CID 166867733
[(2S)-1-[(2S)-2-amino-3-[3,4-bis(2,2-dimethylpropanoyloxy)phenyl]propanoyl]oxypropan-2-yl] cyclohexanecarboxylate
CID 90907520
dimethyl 2-methyl-2-[(2-oxocyclohexyl)methyl]propanedioate
CID 71331186
methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride
CID 69435032

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylidene-3,3a,4,5,6,7-hexahydroinden-1-yl) 2,2-dimethylpropanoate?
The IUPAC name of (2-propan-2-ylidene-3,3a,4,5,6,7-hexahydroinden-1-yl) 2,2-dimethylpropanoate (CID 62705870) is (2-propan-2-ylidene-3,3a,4,5,6,7-hexahydroinden-1-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (2-propan-2-ylidene-3,3a,4,5,6,7-hexahydroinden-1-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (2-propan-2-ylidene-3,3a,4,5,6,7-hexahydroinden-1-yl) 2,2-dimethylpropanoate is CC(C)=C1CC2CCCCC2=C1OC(=O)C(C)(C)C.
What is the InChIKey of (2-propan-2-ylidene-3,3a,4,5,6,7-hexahydroinden-1-yl) 2,2-dimethylpropanoate?
The InChIKey is WLKOTBPKQLYQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-11(2)14-10-12-8-6-7-9-13(12)15(14)19-16(18)17(3,4)5/h12H,6-10H2,1-5H3.
What are the key properties of (2-propan-2-ylidene-3,3a,4,5,6,7-hexahydroinden-1-yl) 2,2-dimethylpropanoate?
(2-propan-2-ylidene-3,3a,4,5,6,7-hexahydroinden-1-yl) 2,2-dimethylpropanoate has a molecular weight of 262.39 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylidene-3,3a,4,5,6,7-hexahydroinden-1-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 62705870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).