1,3-dimethoxypropan-2-yl 2,3-dihydro-1H-indene-5-carboxylate

C15H20O4 — CID 71915736

IUPAC1,3-dimethoxypropan-2-yl 2,3-dihydro-1H-indene-5-carboxylate
SMILESCOCC(COC)OC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H20O4/c1-17-9-14(10-18-2)19-15(16)13-7-6-11-4-3-5-12(11)8-13/h6-8,14H,3-5,9-10H2,1-2H3
InChIKeyDDJDTBZKDUJQFH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.99
Rot. Bonds6

About 1,3-dimethoxypropan-2-yl 2,3-dihydro-1H-indene-5-carboxylate

1,3-dimethoxypropan-2-yl 2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 71915736) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1,3-dimethoxypropan-2-yl 2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Name1,3-dimethoxypropan-2-yl 2,3-dihydro-1H-indene-5-carboxylate
PubChem CID71915736
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name1,3-dimethoxypropan-2-yl 2,3-dihydro-1H-indene-5-carboxylate
SMILESCOCC(COC)OC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H20O4/c1-17-9-14(10-18-2)19-15(16)13-7-6-11-4-3-5-12(11)8-13/h6-8,14H,3-5,9-10H2,1-2H3
InChIKeyDDJDTBZKDUJQFH-UHFFFAOYSA-N
XLogP1.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate
CID 60704491
[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-fluoro-4-methoxybenzoate
CID 43030638
1-methoxypropan-2-yl 2,3-dihydro-1H-isoindole-5-carboxylate
CID 113363691
5,6,7,8-tetrahydronaphthalene-2-carbonyloxymethyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 118313504
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3,4-diethoxybenzoate
CID 7785718
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010397
(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-indene-5-carboxylate
CID 9010500
prop-2-enyl 2,3-dihydro-1H-indene-5-carboxylate
CID 58125258
[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010328
[2-(2-methoxyethylamino)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706555
[(2R)-1-anilino-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010390
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 55392603

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxypropan-2-yl 2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of 1,3-dimethoxypropan-2-yl 2,3-dihydro-1H-indene-5-carboxylate (CID 71915736) is 1,3-dimethoxypropan-2-yl 2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for 1,3-dimethoxypropan-2-yl 2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for 1,3-dimethoxypropan-2-yl 2,3-dihydro-1H-indene-5-carboxylate is COCC(COC)OC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1,3-dimethoxypropan-2-yl 2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is DDJDTBZKDUJQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-17-9-14(10-18-2)19-15(16)13-7-6-11-4-3-5-12(11)8-13/h6-8,14H,3-5,9-10H2,1-2H3.
What are the key properties of 1,3-dimethoxypropan-2-yl 2,3-dihydro-1H-indene-5-carboxylate?
1,3-dimethoxypropan-2-yl 2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxypropan-2-yl 2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 71915736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).