1-O-(cyclohexylmethyl) 5-O-(naphthalen-2-ylmethyl) pentanedioate

C23H28O4 — CID 91717151

IUPAC1-O-(cyclohexylmethyl) 5-O-(naphthalen-2-ylmethyl) pentanedioate
SMILESO=C(CCCC(=O)OCC1CCCCC1)OCc1ccc2ccccc2c1
InChIInChI=1S/C23H28O4/c24-22(26-16-18-7-2-1-3-8-18)11-6-12-23(25)27-17-19-13-14-20-9-4-5-10-21(20)15-19/h4-5,9-10,13-15,18H,1-3,6-8,11-12,16-17H2
InChIKeySJVLQKRDLIZAIH-UHFFFAOYSA-N
MW368.47 g/mol
LogP5.18
Rot. Bonds8

About 1-O-(cyclohexylmethyl) 5-O-(naphthalen-2-ylmethyl) pentanedioate

1-O-(cyclohexylmethyl) 5-O-(naphthalen-2-ylmethyl) pentanedioate (PubChem CID 91717151) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is 1-O-(cyclohexylmethyl) 5-O-(naphthalen-2-ylmethyl) pentanedioate.

Molecular Properties

Compound Name1-O-(cyclohexylmethyl) 5-O-(naphthalen-2-ylmethyl) pentanedioate
PubChem CID91717151
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name1-O-(cyclohexylmethyl) 5-O-(naphthalen-2-ylmethyl) pentanedioate
SMILESO=C(CCCC(=O)OCC1CCCCC1)OCc1ccc2ccccc2c1
InChIInChI=1S/C23H28O4/c24-22(26-16-18-7-2-1-3-8-18)11-6-12-23(25)27-17-19-13-14-20-9-4-5-10-21(20)15-19/h4-5,9-10,13-15,18H,1-3,6-8,11-12,16-17H2
InChIKeySJVLQKRDLIZAIH-UHFFFAOYSA-N
XLogP5.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-O-(cyclohexylmethyl) 5-O-[(3-nitrophenyl)methyl] pentanedioate
CID 91707913
5-O-(2-methylpropyl) 1-O-(naphthalen-2-ylmethyl) pentanedioate
CID 91717144
1-O-(8-chlorooctyl) 5-O-(naphthalen-2-ylmethyl) pentanedioate
CID 91717152
5-O-(naphthalen-2-ylmethyl) 1-O-nonyl pentanedioate
CID 91707978
5-O-(3-fluorophenyl) 1-O-(naphthalen-2-ylmethyl) pentanedioate
CID 91717214
naphthalen-2-ylmethyl 4-methylpentanoate
CID 135060928
1-O-(naphthalen-2-ylmethyl) 5-O-(2,3,4-trifluorophenyl) pentanedioate
CID 91717224
4-O-(2,2-dichloroethyl) 1-O-(naphthalen-2-ylmethyl) butanedioate
CID 91717334
naphthalen-2-ylmethyl propanoate;hydrochloride
CID 174398920
cyclohexylmethyl 3-(4-aminophenyl)propanoate
CID 61314323
1-cycloheptyl-3-naphthalen-2-ylpropan-2-one
CID 114458055
5-O-hex-4-yn-3-yl 1-O-(naphthalen-2-ylmethyl) pentanedioate
CID 91717290

Frequently Asked Questions

What is the IUPAC name of 1-O-(cyclohexylmethyl) 5-O-(naphthalen-2-ylmethyl) pentanedioate?
The IUPAC name of 1-O-(cyclohexylmethyl) 5-O-(naphthalen-2-ylmethyl) pentanedioate (CID 91717151) is 1-O-(cyclohexylmethyl) 5-O-(naphthalen-2-ylmethyl) pentanedioate.
What is the SMILES notation for 1-O-(cyclohexylmethyl) 5-O-(naphthalen-2-ylmethyl) pentanedioate?
The canonical SMILES for 1-O-(cyclohexylmethyl) 5-O-(naphthalen-2-ylmethyl) pentanedioate is O=C(CCCC(=O)OCC1CCCCC1)OCc1ccc2ccccc2c1.
What is the InChIKey of 1-O-(cyclohexylmethyl) 5-O-(naphthalen-2-ylmethyl) pentanedioate?
The InChIKey is SJVLQKRDLIZAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O4/c24-22(26-16-18-7-2-1-3-8-18)11-6-12-23(25)27-17-19-13-14-20-9-4-5-10-21(20)15-19/h4-5,9-10,13-15,18H,1-3,6-8,11-12,16-17H2.
What are the key properties of 1-O-(cyclohexylmethyl) 5-O-(naphthalen-2-ylmethyl) pentanedioate?
1-O-(cyclohexylmethyl) 5-O-(naphthalen-2-ylmethyl) pentanedioate has a molecular weight of 368.47 g/mol, XLogP of 5.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(cyclohexylmethyl) 5-O-(naphthalen-2-ylmethyl) pentanedioate is sourced from PubChem (CID 91717151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).