2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]cyclohexane-1-carboxylic acid

C22H32O8 — CID 154604117

IUPAC2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)OCCOCCOCCOCCOc1ccccc1
InChIInChI=1S/C22H32O8/c23-21(24)19-8-4-5-9-20(19)22(25)30-17-15-28-13-11-26-10-12-27-14-16-29-18-6-2-1-3-7-18/h1-3,6-7,19-20H,4-5,8-17H2,(H,23,24)
InChIKeyKGCCBDPSRIHGHH-UHFFFAOYSA-N
MW424.49 g/mol
LogP2.55
Rot. Bonds15

About 2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]cyclohexane-1-carboxylic acid

2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]cyclohexane-1-carboxylic acid (PubChem CID 154604117) has the molecular formula C22H32O8 and a molecular weight of 424.49 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]cyclohexane-1-carboxylic acid
PubChem CID154604117
Molecular FormulaC22H32O8
Molecular Weight424.49 g/mol
Exact Mass424.21
IUPAC Name2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)OCCOCCOCCOCCOc1ccccc1
InChIInChI=1S/C22H32O8/c23-21(24)19-8-4-5-9-20(19)22(25)30-17-15-28-13-11-26-10-12-27-14-16-29-18-6-2-1-3-7-18/h1-3,6-7,19-20H,4-5,8-17H2,(H,23,24)
InChIKeyKGCCBDPSRIHGHH-UHFFFAOYSA-N
XLogP2.55
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxyethyl 2-aminocyclohexane-1-carboxylate
CID 64818428
cis-(1R,2S)-2-[2-[(1R,2R)-2-carboxycyclohexanecarbonyl]oxyethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 7052272
bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate
CID 71382770
2-phenoxyethyl (2R)-piperidine-2-carboxylate
CID 79034822
2-phenoxyethyl pyrrolidine-2-carboxylate
CID 61302272
bis(5-phenylpentyl) cyclohexane-1,2-dicarboxylate
CID 174219135
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575
trans-diphenyl (1R,2R)-cyclohexane-1,2-dicarboxylate
CID 15685593
2-phenoxyethyl 1-methylpiperidine-4-carboxylate
CID 121413233
cis-(1R,2S)-2-[[4-(2-phenylethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 7299399
cis-(1R,2S)-2-[[3-(2-ethoxyethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 41452832
2-(4-bromophenoxy)ethyl 2-methylcyclopropane-1-carboxylate
CID 55314844

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]cyclohexane-1-carboxylic acid (CID 154604117) is 2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)OCCOCCOCCOCCOc1ccccc1.
What is the InChIKey of 2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is KGCCBDPSRIHGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O8/c23-21(24)19-8-4-5-9-20(19)22(25)30-17-15-28-13-11-26-10-12-27-14-16-29-18-6-2-1-3-7-18/h1-3,6-7,19-20H,4-5,8-17H2,(H,23,24).
What are the key properties of 2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]cyclohexane-1-carboxylic acid?
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 424.49 g/mol, XLogP of 2.55, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 154604117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).