methyl 6-(cyclohexylmethyl)-2,3-dihydro-1H-indene-4-carboxylate

C18H24O2 — CID 10858635

IUPACmethyl 6-(cyclohexylmethyl)-2,3-dihydro-1H-indene-4-carboxylate
SMILESCOC(=O)c1cc(CC2CCCCC2)cc2c1CCC2
InChIInChI=1S/C18H24O2/c1-20-18(19)17-12-14(10-13-6-3-2-4-7-13)11-15-8-5-9-16(15)17/h11-13H,2-10H2,1H3
InChIKeyVMHWILCSTDUOPF-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.08
Rot. Bonds3

About methyl 6-(cyclohexylmethyl)-2,3-dihydro-1H-indene-4-carboxylate

methyl 6-(cyclohexylmethyl)-2,3-dihydro-1H-indene-4-carboxylate (PubChem CID 10858635) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is methyl 6-(cyclohexylmethyl)-2,3-dihydro-1H-indene-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(cyclohexylmethyl)-2,3-dihydro-1H-indene-4-carboxylate
PubChem CID10858635
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Namemethyl 6-(cyclohexylmethyl)-2,3-dihydro-1H-indene-4-carboxylate
SMILESCOC(=O)c1cc(CC2CCCCC2)cc2c1CCC2
InChIInChI=1S/C18H24O2/c1-20-18(19)17-12-14(10-13-6-3-2-4-7-13)11-15-8-5-9-16(15)17/h11-13H,2-10H2,1H3
InChIKeyVMHWILCSTDUOPF-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(cyclohexylmethyl)-2,3-dihydro-1H-indene-4-carboxylate?
The IUPAC name of methyl 6-(cyclohexylmethyl)-2,3-dihydro-1H-indene-4-carboxylate (CID 10858635) is methyl 6-(cyclohexylmethyl)-2,3-dihydro-1H-indene-4-carboxylate.
What is the SMILES notation for methyl 6-(cyclohexylmethyl)-2,3-dihydro-1H-indene-4-carboxylate?
The canonical SMILES for methyl 6-(cyclohexylmethyl)-2,3-dihydro-1H-indene-4-carboxylate is COC(=O)c1cc(CC2CCCCC2)cc2c1CCC2.
What is the InChIKey of methyl 6-(cyclohexylmethyl)-2,3-dihydro-1H-indene-4-carboxylate?
The InChIKey is VMHWILCSTDUOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-20-18(19)17-12-14(10-13-6-3-2-4-7-13)11-15-8-5-9-16(15)17/h11-13H,2-10H2,1H3.
What are the key properties of methyl 6-(cyclohexylmethyl)-2,3-dihydro-1H-indene-4-carboxylate?
methyl 6-(cyclohexylmethyl)-2,3-dihydro-1H-indene-4-carboxylate has a molecular weight of 272.39 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(cyclohexylmethyl)-2,3-dihydro-1H-indene-4-carboxylate is sourced from PubChem (CID 10858635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).