methyl 2-(6,10-dimethyl-8-oxospiro[4.5]dec-9-en-3-yl)prop-2-enoate

C16H22O3 — CID 163055633

IUPACmethyl 2-(6,10-dimethyl-8-oxospiro[4.5]dec-9-en-3-yl)prop-2-enoate
SMILESC=C(C(=O)OC)C1CCC2(C1)C(C)=CC(=O)CC2C
InChIInChI=1S/C16H22O3/c1-10-7-14(17)8-11(2)16(10)6-5-13(9-16)12(3)15(18)19-4/h7,11,13H,3,5-6,8-9H2,1-2,4H3
InChIKeySSNRBHZIHVCWJI-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.06
Rot. Bonds2

About methyl 2-(6,10-dimethyl-8-oxospiro[4.5]dec-9-en-3-yl)prop-2-enoate

methyl 2-(6,10-dimethyl-8-oxospiro[4.5]dec-9-en-3-yl)prop-2-enoate (PubChem CID 163055633) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 2-(6,10-dimethyl-8-oxospiro[4.5]dec-9-en-3-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(6,10-dimethyl-8-oxospiro[4.5]dec-9-en-3-yl)prop-2-enoate
PubChem CID163055633
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Namemethyl 2-(6,10-dimethyl-8-oxospiro[4.5]dec-9-en-3-yl)prop-2-enoate
SMILESC=C(C(=O)OC)C1CCC2(C1)C(C)=CC(=O)CC2C
InChIInChI=1S/C16H22O3/c1-10-7-14(17)8-11(2)16(10)6-5-13(9-16)12(3)15(18)19-4/h7,11,13H,3,5-6,8-9H2,1-2,4H3
InChIKeySSNRBHZIHVCWJI-UHFFFAOYSA-N
XLogP3.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(3R,5S,6S)-6,10-dimethyl-8-oxospiro[4.5]dec-9-en-3-yl]prop-2-enoate
CID 163193453
(3S,5R,6R)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
CID 42608177
(3R,5R,6R)-3-(2-hydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one
CID 162885101
(3S,5S,6S)-3-(2-hydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one
CID 10823738
(3R,5R)-3-(1,2-dihydroxypropan-2-yl)-6,10-dimethylspiro[4.5]dec-9-en-8-one
CID 91884809
methyl 2-(3a-hydroxy-3,8-dimethyl-1-oxo-4,5,6,7-tetrahydroazulen-5-yl)prop-2-enoate
CID 162940930
methyl 2-[(3aS,5R)-3a-hydroxy-3,8-dimethyl-1-oxo-4,5,6,7-tetrahydroazulen-5-yl]prop-2-enoate
CID 162940931
(3R,5S,6R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
CID 25200393
(5S)-4,4-dimethoxy-3,5-dimethylcyclohex-2-en-1-one
CID 132820609
methyl 2-[(2R,4aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]prop-2-enoate
CID 101479375
methyl 2-[(2S,4aR)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoate
CID 101086251
methyl 2-[(2R,4aR,8aS)-8a-hydroperoxy-4a-methyl-8-methylidene-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoate
CID 162856359

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6,10-dimethyl-8-oxospiro[4.5]dec-9-en-3-yl)prop-2-enoate?
The IUPAC name of methyl 2-(6,10-dimethyl-8-oxospiro[4.5]dec-9-en-3-yl)prop-2-enoate (CID 163055633) is methyl 2-(6,10-dimethyl-8-oxospiro[4.5]dec-9-en-3-yl)prop-2-enoate.
What is the SMILES notation for methyl 2-(6,10-dimethyl-8-oxospiro[4.5]dec-9-en-3-yl)prop-2-enoate?
The canonical SMILES for methyl 2-(6,10-dimethyl-8-oxospiro[4.5]dec-9-en-3-yl)prop-2-enoate is C=C(C(=O)OC)C1CCC2(C1)C(C)=CC(=O)CC2C.
What is the InChIKey of methyl 2-(6,10-dimethyl-8-oxospiro[4.5]dec-9-en-3-yl)prop-2-enoate?
The InChIKey is SSNRBHZIHVCWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-10-7-14(17)8-11(2)16(10)6-5-13(9-16)12(3)15(18)19-4/h7,11,13H,3,5-6,8-9H2,1-2,4H3.
What are the key properties of methyl 2-(6,10-dimethyl-8-oxospiro[4.5]dec-9-en-3-yl)prop-2-enoate?
methyl 2-(6,10-dimethyl-8-oxospiro[4.5]dec-9-en-3-yl)prop-2-enoate has a molecular weight of 262.35 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6,10-dimethyl-8-oxospiro[4.5]dec-9-en-3-yl)prop-2-enoate is sourced from PubChem (CID 163055633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).