methyl 2-(5'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetate

C16H20O5 — CID 10108378

IUPACmethyl 2-(5'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetate
SMILESCOC(=O)CC1Cc2cccc(OC)c2CC12OCCO2
InChIInChI=1S/C16H20O5/c1-18-14-5-3-4-11-8-12(9-15(17)19-2)16(10-13(11)14)20-6-7-21-16/h3-5,12H,6-10H2,1-2H3
InChIKeyKXYUEPCZIJYXHB-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.72
Rot. Bonds3

About methyl 2-(5'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetate

methyl 2-(5'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetate (PubChem CID 10108378) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl 2-(5'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetate
PubChem CID10108378
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Namemethyl 2-(5'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetate
SMILESCOC(=O)CC1Cc2cccc(OC)c2CC12OCCO2
InChIInChI=1S/C16H20O5/c1-18-14-5-3-4-11-8-12(9-15(17)19-2)16(10-13(11)14)20-6-7-21-16/h3-5,12H,6-10H2,1-2H3
InChIKeyKXYUEPCZIJYXHB-UHFFFAOYSA-N
XLogP1.72
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(5'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetate with MolForge

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Related Compounds

2-(8'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetic acid
CID 13491708
methyl 2-(8-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)acetate
CID 105496163
methyl 2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 15237997
methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate
CID 86315719
5-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diol
CID 123352888
methyl 2-(4-amino-2,3-dihydro-1H-inden-2-yl)acetate
CID 105457459
(2S)-2-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 123510289
methyl 2-(8-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 54298591
methyl 2-amino-8-methoxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 58467113
N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 67469984
5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 12728224
1-(4-methoxy-2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 105445390

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetate?
The IUPAC name of methyl 2-(5'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetate (CID 10108378) is methyl 2-(5'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetate.
What is the SMILES notation for methyl 2-(5'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetate?
The canonical SMILES for methyl 2-(5'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetate is COC(=O)CC1Cc2cccc(OC)c2CC12OCCO2.
What is the InChIKey of methyl 2-(5'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetate?
The InChIKey is KXYUEPCZIJYXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O5/c1-18-14-5-3-4-11-8-12(9-15(17)19-2)16(10-13(11)14)20-6-7-21-16/h3-5,12H,6-10H2,1-2H3.
What are the key properties of methyl 2-(5'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetate?
methyl 2-(5'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetate has a molecular weight of 292.33 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5'-methoxyspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]-2'-yl)acetate is sourced from PubChem (CID 10108378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).