decyl 2,3-dihydro-1H-indene-2-carboxylate

C20H30O2 — CID 122577594

IUPACdecyl 2,3-dihydro-1H-indene-2-carboxylate
SMILESCCCCCCCCCCOC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-11-14-22-20(21)19-15-17-12-9-10-13-18(17)16-19/h9-10,12-13,19H,2-8,11,14-16H2,1H3
InChIKeyFMCGMPWNFBGRPY-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.09
Rot. Bonds10

About decyl 2,3-dihydro-1H-indene-2-carboxylate

decyl 2,3-dihydro-1H-indene-2-carboxylate (PubChem CID 122577594) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is decyl 2,3-dihydro-1H-indene-2-carboxylate.

Molecular Properties

Compound Namedecyl 2,3-dihydro-1H-indene-2-carboxylate
PubChem CID122577594
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Namedecyl 2,3-dihydro-1H-indene-2-carboxylate
SMILESCCCCCCCCCCOC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-11-14-22-20(21)19-15-17-12-9-10-13-18(17)16-19/h9-10,12-13,19H,2-8,11,14-16H2,1H3
InChIKeyFMCGMPWNFBGRPY-UHFFFAOYSA-N
XLogP5.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze decyl 2,3-dihydro-1H-indene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

octacosyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 11599455
heptyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 104895708
octyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 63540314
4-O-decyl 1-O-octyl cyclohexane-1,4-dicarboxylate
CID 66984073
pentadecyl cyclopropanecarboxylate
CID 560133
hexadecyl cyclopropanecarboxylate;silver
CID 87290012
nonyl cyclopentanecarboxylate
CID 575427
nonyl 1-benzoylpiperidine-4-carboxylate
CID 91738796
octyl 2-phenylcyclopropane-1-carboxylate
CID 91709958
dodecyl 1-methylpiperidine-4-carboxylate
CID 138584013
hexyl 1-(2-chlorobenzoyl)piperidine-4-carboxylate
CID 91734475
propyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902748

Frequently Asked Questions

What is the IUPAC name of decyl 2,3-dihydro-1H-indene-2-carboxylate?
The IUPAC name of decyl 2,3-dihydro-1H-indene-2-carboxylate (CID 122577594) is decyl 2,3-dihydro-1H-indene-2-carboxylate.
What is the SMILES notation for decyl 2,3-dihydro-1H-indene-2-carboxylate?
The canonical SMILES for decyl 2,3-dihydro-1H-indene-2-carboxylate is CCCCCCCCCCOC(=O)C1Cc2ccccc2C1.
What is the InChIKey of decyl 2,3-dihydro-1H-indene-2-carboxylate?
The InChIKey is FMCGMPWNFBGRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-11-14-22-20(21)19-15-17-12-9-10-13-18(17)16-19/h9-10,12-13,19H,2-8,11,14-16H2,1H3.
What are the key properties of decyl 2,3-dihydro-1H-indene-2-carboxylate?
decyl 2,3-dihydro-1H-indene-2-carboxylate has a molecular weight of 302.46 g/mol, XLogP of 5.09, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2,3-dihydro-1H-indene-2-carboxylate is sourced from PubChem (CID 122577594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).