methyl 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate

C14H18O5 — CID 23631525

IUPACmethyl 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate
SMILESCOC(=O)C12CCC(=O)C=C1CCC1(C2)OCCO1
InChIInChI=1S/C14H18O5/c1-17-12(16)13-4-3-11(15)8-10(13)2-5-14(9-13)18-6-7-19-14/h8H,2-7,9H2,1H3
InChIKeyHUSNRMRECJGPAE-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.36
Rot. Bonds1

About methyl 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate

methyl 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate (PubChem CID 23631525) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is methyl 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate.

Molecular Properties

Compound Namemethyl 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate
PubChem CID23631525
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namemethyl 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate
SMILESCOC(=O)C12CCC(=O)C=C1CCC1(C2)OCCO1
InChIInChI=1S/C14H18O5/c1-17-12(16)13-4-3-11(15)8-10(13)2-5-14(9-13)18-6-7-19-14/h8H,2-7,9H2,1H3
InChIKeyHUSNRMRECJGPAE-UHFFFAOYSA-N
XLogP1.36
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate with MolForge

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Related Compounds

Ethyl 7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carboxylate
CID 345332
5,5-(Ethylenedioxy)-4a-methyl-2,3,4,4a,5,6,7,8-octahydronaphtalen-2-one
CID 10922101
(R)-Spiro[1,3-dioxolane-2,1'(2'H)-naphthalen]-6'(5'H)-one, 3',7',8',8'A-tetrahydro-8'A-methyl-
CID 10922104
(4'aS)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 12373743
4'a-prop-2-enylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 359242
methyl 3,3-dimethoxy-8-methyl-7-oxo-2,4,5,6-tetrahydro-1H-naphthalene-4a-carboxylate
CID 277101
(4'aR)-1',4'a-dimethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 10933480
methyl 7'-oxospiro[1,3-dioxolane-2,2'-3,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate
CID 11207839
(8aS)-5-[2-(2-ethyl-1,3-dioxolan-2-yl)ethyl]-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione
CID 14680044
4'a-methylspiro[1,3-dioxolane-2,7'-4,5,6,8-tetrahydro-3H-naphthalene]-2'-one
CID 134859275
7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carbaldehyde
CID 135044322
ethyl 3-[(4aS)-4,7-dioxo-2,3,5,6-tetrahydro-1H-naphthalen-4a-yl]propanoate
CID 138975493

Frequently Asked Questions

What is the IUPAC name of methyl 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate?
The IUPAC name of methyl 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate (CID 23631525) is methyl 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate.
What is the SMILES notation for methyl 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate?
The canonical SMILES for methyl 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate is COC(=O)C12CCC(=O)C=C1CCC1(C2)OCCO1.
What is the InChIKey of methyl 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate?
The InChIKey is HUSNRMRECJGPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-17-12(16)13-4-3-11(15)8-10(13)2-5-14(9-13)18-6-7-19-14/h8H,2-7,9H2,1H3.
What are the key properties of methyl 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate?
methyl 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate has a molecular weight of 266.29 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7'-oxospiro[1,3-dioxolane-2,3'-2,4,5,6-tetrahydro-1H-naphthalene]-4'a-carboxylate is sourced from PubChem (CID 23631525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).