(7-hexyl-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 2-morpholin-4-ylacetate

C26H37NO4 — CID 21433910

IUPAC(7-hexyl-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 2-morpholin-4-ylacetate
SMILESCCCCCCc1cc(OC(=O)CN2CCOCC2)c2c(c1)OC(C)(C)C1=C2CCC1
InChIInChI=1S/C26H37NO4/c1-4-5-6-7-9-19-16-22(30-24(28)18-27-12-14-29-15-13-27)25-20-10-8-11-21(20)26(2,3)31-23(25)17-19/h16-17H,4-15,18H2,1-3H3
InChIKeyJSYPLVMSAWJJJM-UHFFFAOYSA-N
MW427.59 g/mol
LogP5.16
Rot. Bonds8

About (7-hexyl-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 2-morpholin-4-ylacetate

(7-hexyl-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 2-morpholin-4-ylacetate (PubChem CID 21433910) has the molecular formula C26H37NO4 and a molecular weight of 427.59 g/mol. Its IUPAC name is (7-hexyl-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 2-morpholin-4-ylacetate.

Molecular Properties

Compound Name(7-hexyl-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 2-morpholin-4-ylacetate
PubChem CID21433910
Molecular FormulaC26H37NO4
Molecular Weight427.59 g/mol
Exact Mass427.27
IUPAC Name(7-hexyl-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 2-morpholin-4-ylacetate
SMILESCCCCCCc1cc(OC(=O)CN2CCOCC2)c2c(c1)OC(C)(C)C1=C2CCC1
InChIInChI=1S/C26H37NO4/c1-4-5-6-7-9-19-16-22(30-24(28)18-27-12-14-29-15-13-27)25-20-10-8-11-21(20)26(2,3)31-23(25)17-19/h16-17H,4-15,18H2,1-3H3
InChIKeyJSYPLVMSAWJJJM-UHFFFAOYSA-N
XLogP5.16
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (7-hexyl-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 2-morpholin-4-ylacetate with MolForge

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Related Compounds

[2-(2-cyclohexylethyl)-5,5-dimethyl-8-pentyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 5-morpholin-4-ylpentanoate
CID 54035541
[4,4-dimethyl-7-(5-phenylpentan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl] 4-morpholin-4-ylbutanoate;hydrochloride
CID 21409756
[8-[5-(4-fluorophenyl)pentyl]-5,5-dimethyl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-morpholin-4-ylbutanoate
CID 88767419
(4,4-dimethyl-7-tetradecan-2-yl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 8-thiomorpholin-4-yloctanoate
CID 21433929
[4,4-dimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl] 4-pyrrolidin-1-ylbutanoate
CID 21433921
[2,5,5-trimethyl-8-(3-methyloctan-2-yl)-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-morpholin-4-ylbutanoate;hydrochloride
CID 21499410
[5,5-dimethyl-8-(3-methyloctan-2-yl)-2,3-dihydro-1H-thiopyrano[2,3-c]chromen-10-yl] 4-morpholin-4-ylbutanoate
CID 21433914
(6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-yl) pentanoate
CID 118642883
[5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-morpholin-4-ylbutanoate;dihydrochloride
CID 21433905
[5,5-dimethyl-8-(3-methyloctyl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-(2-methylpiperidin-1-yl)butanoate
CID 88822071
(6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-yl) acetate
CID 90473109
(8-heptyl-5,5-dimethylchromeno[4,3-c]pyridin-10-yl) acetate
CID 70565887

Frequently Asked Questions

What is the IUPAC name of (7-hexyl-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 2-morpholin-4-ylacetate?
The IUPAC name of (7-hexyl-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 2-morpholin-4-ylacetate (CID 21433910) is (7-hexyl-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 2-morpholin-4-ylacetate.
What is the SMILES notation for (7-hexyl-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 2-morpholin-4-ylacetate?
The canonical SMILES for (7-hexyl-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 2-morpholin-4-ylacetate is CCCCCCc1cc(OC(=O)CN2CCOCC2)c2c(c1)OC(C)(C)C1=C2CCC1.
What is the InChIKey of (7-hexyl-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 2-morpholin-4-ylacetate?
The InChIKey is JSYPLVMSAWJJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO4/c1-4-5-6-7-9-19-16-22(30-24(28)18-27-12-14-29-15-13-27)25-20-10-8-11-21(20)26(2,3)31-23(25)17-19/h16-17H,4-15,18H2,1-3H3.
What are the key properties of (7-hexyl-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 2-morpholin-4-ylacetate?
(7-hexyl-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 2-morpholin-4-ylacetate has a molecular weight of 427.59 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hexyl-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 2-morpholin-4-ylacetate is sourced from PubChem (CID 21433910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).