ethyl 7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate

C15H22O4 — CID 170721054

IUPACethyl 7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate
SMILESC=C(C)C1=CCC2(CC1(C)C(=O)OCC)OCCO2
InChIInChI=1S/C15H22O4/c1-5-17-13(16)14(4)10-15(18-8-9-19-15)7-6-12(14)11(2)3/h6H,2,5,7-10H2,1,3-4H3
InChIKeyKSBWBTSVEHPAEB-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.60
Rot. Bonds3

About ethyl 7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate

ethyl 7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate (PubChem CID 170721054) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate
PubChem CID170721054
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Nameethyl 7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate
SMILESC=C(C)C1=CCC2(CC1(C)C(=O)OCC)OCCO2
InChIInChI=1S/C15H22O4/c1-5-17-13(16)14(4)10-15(18-8-9-19-15)7-6-12(14)11(2)3/h6H,2,5,7-10H2,1,3-4H3
InChIKeyKSBWBTSVEHPAEB-UHFFFAOYSA-N
XLogP2.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate
CID 170721017
ethyl (7R)-8-fluoro-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate
CID 175983312
(6-Allyl-1,4-dioxaspiro[4.5]dec-8-en-6-yl)acetic acid
CID 381492
9E-Nortrisporsaeureketal, methyl ester
CID 5368085
Ethyl 2-(6-methyl-1,4-dioxaspiro[4.5]dec-8-en-6-yl)acetate
CID 11447817
Ethyl 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-methylpropanoate
CID 22501925
Methyl 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-methylpropanoate
CID 121477714
Methyl 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-2-methylbutanoate
CID 141491534
Methyl 4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclohex-3-ene-1-carboxylate
CID 169225990
Ethyl 2-[4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)cyclohex-3-en-1-yl]acetate
CID 169226003
8-Methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid
CID 170294430
Ethyl 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate
CID 170720997

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate?
The IUPAC name of ethyl 7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate (CID 170721054) is ethyl 7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate.
What is the SMILES notation for ethyl 7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate?
The canonical SMILES for ethyl 7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate is C=C(C)C1=CCC2(CC1(C)C(=O)OCC)OCCO2.
What is the InChIKey of ethyl 7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate?
The InChIKey is KSBWBTSVEHPAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-5-17-13(16)14(4)10-15(18-8-9-19-15)7-6-12(14)11(2)3/h6H,2,5,7-10H2,1,3-4H3.
What are the key properties of ethyl 7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate?
ethyl 7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-8-prop-1-en-2-yl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylate is sourced from PubChem (CID 170721054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).