dimethyl 4,4-diethyl-2,3-dihydro-1H-naphthalene-2,3-dicarboxylate

C18H24O4 — CID 10662291

IUPACdimethyl 4,4-diethyl-2,3-dihydro-1H-naphthalene-2,3-dicarboxylate
SMILESCCC1(CC)c2ccccc2CC(C(=O)OC)C1C(=O)OC
InChIInChI=1S/C18H24O4/c1-5-18(6-2)14-10-8-7-9-12(14)11-13(16(19)21-3)15(18)17(20)22-4/h7-10,13,15H,5-6,11H2,1-4H3
InChIKeyUXCBXCSGMKOVEG-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.88
Rot. Bonds4

About dimethyl 4,4-diethyl-2,3-dihydro-1H-naphthalene-2,3-dicarboxylate

dimethyl 4,4-diethyl-2,3-dihydro-1H-naphthalene-2,3-dicarboxylate (PubChem CID 10662291) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is dimethyl 4,4-diethyl-2,3-dihydro-1H-naphthalene-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4,4-diethyl-2,3-dihydro-1H-naphthalene-2,3-dicarboxylate
PubChem CID10662291
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Namedimethyl 4,4-diethyl-2,3-dihydro-1H-naphthalene-2,3-dicarboxylate
SMILESCCC1(CC)c2ccccc2CC(C(=O)OC)C1C(=O)OC
InChIInChI=1S/C18H24O4/c1-5-18(6-2)14-10-8-7-9-12(14)11-13(16(19)21-3)15(18)17(20)22-4/h7-10,13,15H,5-6,11H2,1-4H3
InChIKeyUXCBXCSGMKOVEG-UHFFFAOYSA-N
XLogP2.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl (2S,3R,4S)-4-methyl-4-prop-2-enyl-2,3-dihydro-1H-naphthalene-2,3-dicarboxylate
CID 10733140
diethyl (2S,3R,4R)-4-ethyl-4-methyl-2,3-dihydro-1H-naphthalene-2,3-dicarboxylate
CID 10495794
methyl 4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylate
CID 11806156
methyl (2S,3S)-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 101261612
dimethyl (5S,6S)-2-benzyl-4,5,6,7-tetrahydroisoindole-5,6-dicarboxylate
CID 11782382
dimethyl (1S,2R,3R)-1-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate
CID 13171844
methyl (1R,2R)-1-phenacyl-2,3-dihydro-1H-indene-2-carboxylate
CID 102418918
dimethyl (1S,9S)-1-methyltricyclo[7.2.1.02,7]dodeca-2,4,6-triene-11,11-dicarboxylate
CID 71567947
ethyl (2S,3S)-3-fluoro-3-hydroxy-1,2-dihydroindene-2-carboxylate
CID 57044445
dimethyl (9S,10S)-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dicarboxylate
CID 134853900
methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 124511173
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984

Frequently Asked Questions

What is the IUPAC name of dimethyl 4,4-diethyl-2,3-dihydro-1H-naphthalene-2,3-dicarboxylate?
The IUPAC name of dimethyl 4,4-diethyl-2,3-dihydro-1H-naphthalene-2,3-dicarboxylate (CID 10662291) is dimethyl 4,4-diethyl-2,3-dihydro-1H-naphthalene-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 4,4-diethyl-2,3-dihydro-1H-naphthalene-2,3-dicarboxylate?
The canonical SMILES for dimethyl 4,4-diethyl-2,3-dihydro-1H-naphthalene-2,3-dicarboxylate is CCC1(CC)c2ccccc2CC(C(=O)OC)C1C(=O)OC.
What is the InChIKey of dimethyl 4,4-diethyl-2,3-dihydro-1H-naphthalene-2,3-dicarboxylate?
The InChIKey is UXCBXCSGMKOVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c1-5-18(6-2)14-10-8-7-9-12(14)11-13(16(19)21-3)15(18)17(20)22-4/h7-10,13,15H,5-6,11H2,1-4H3.
What are the key properties of dimethyl 4,4-diethyl-2,3-dihydro-1H-naphthalene-2,3-dicarboxylate?
dimethyl 4,4-diethyl-2,3-dihydro-1H-naphthalene-2,3-dicarboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4,4-diethyl-2,3-dihydro-1H-naphthalene-2,3-dicarboxylate is sourced from PubChem (CID 10662291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).