tert-butyl (5S,6S)-6-methyl-10-oxospiro[4.5]dec-2-ene-3-carboxylate

C16H24O3 — CID 11021769

IUPACtert-butyl (5S,6S)-6-methyl-10-oxospiro[4.5]dec-2-ene-3-carboxylate
SMILESC[C@H]1CCCC(=O)[C@]12CC=C(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C16H24O3/c1-11-6-5-7-13(17)16(11)9-8-12(10-16)14(18)19-15(2,3)4/h8,11H,5-7,9-10H2,1-4H3/t11-,16-/m0/s1
InChIKeyONEZJARQAMRLIC-ZBEGNZNMSA-N
MW264.36 g/mol
LogP3.42
Rot. Bonds1

About tert-butyl (5S,6S)-6-methyl-10-oxospiro[4.5]dec-2-ene-3-carboxylate

tert-butyl (5S,6S)-6-methyl-10-oxospiro[4.5]dec-2-ene-3-carboxylate (PubChem CID 11021769) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is tert-butyl (5S,6S)-6-methyl-10-oxospiro[4.5]dec-2-ene-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S,6S)-6-methyl-10-oxospiro[4.5]dec-2-ene-3-carboxylate
PubChem CID11021769
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Nametert-butyl (5S,6S)-6-methyl-10-oxospiro[4.5]dec-2-ene-3-carboxylate
SMILESC[C@H]1CCCC(=O)[C@]12CC=C(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C16H24O3/c1-11-6-5-7-13(17)16(11)9-8-12(10-16)14(18)19-15(2,3)4/h8,11H,5-7,9-10H2,1-4H3/t11-,16-/m0/s1
InChIKeyONEZJARQAMRLIC-ZBEGNZNMSA-N
XLogP3.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(+)-Petasin
CID 5281526
Isopetasin
CID 5318627
(-)-Juvabione
CID 86634
1-Cyclohexene-1-carboxylic acid, 4-(1,5-dimethyl-3-oxo-4-hexenyl)-, methyl ester
CID 557966
(1S,4aS,5R)-1,4a-Dimethyl-6-oxo-5-[2-(2-oxo-2,5-dihydro-furan-3-yl)-ethyl]-decahydro-naphthalene-1-carboxylic acid methyl ester
CID 9997895
[(1R,2R,7S,8aR)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (E)-2-methylbut-2-enoate
CID 12314124
[(6R,8aS)-6,8a-dimethyl-2,7-dioxo-3-propan-2-yl-1,4,5,8-tetrahydroazulen-6-yl] (Z)-2-methylbut-2-enoate
CID 156020118
Juvabione
CID 442381
Neopetasin
CID 6440434
[(1S,2R,4aS,8aS)-1,4a,5-trimethyl-7-oxo-1-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,8,8a-tetrahydro-2H-naphthalen-2-yl]methyl acetate
CID 46216680
Boesenmaxane B
CID 164615574
Chapecoderin C
CID 10245248

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S,6S)-6-methyl-10-oxospiro[4.5]dec-2-ene-3-carboxylate?
The IUPAC name of tert-butyl (5S,6S)-6-methyl-10-oxospiro[4.5]dec-2-ene-3-carboxylate (CID 11021769) is tert-butyl (5S,6S)-6-methyl-10-oxospiro[4.5]dec-2-ene-3-carboxylate.
What is the SMILES notation for tert-butyl (5S,6S)-6-methyl-10-oxospiro[4.5]dec-2-ene-3-carboxylate?
The canonical SMILES for tert-butyl (5S,6S)-6-methyl-10-oxospiro[4.5]dec-2-ene-3-carboxylate is C[C@H]1CCCC(=O)[C@]12CC=C(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl (5S,6S)-6-methyl-10-oxospiro[4.5]dec-2-ene-3-carboxylate?
The InChIKey is ONEZJARQAMRLIC-ZBEGNZNMSA-N. The full InChI is InChI=1S/C16H24O3/c1-11-6-5-7-13(17)16(11)9-8-12(10-16)14(18)19-15(2,3)4/h8,11H,5-7,9-10H2,1-4H3/t11-,16-/m0/s1.
What are the key properties of tert-butyl (5S,6S)-6-methyl-10-oxospiro[4.5]dec-2-ene-3-carboxylate?
tert-butyl (5S,6S)-6-methyl-10-oxospiro[4.5]dec-2-ene-3-carboxylate has a molecular weight of 264.36 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S,6S)-6-methyl-10-oxospiro[4.5]dec-2-ene-3-carboxylate is sourced from PubChem (CID 11021769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).