2-(2-hydroxyethoxy)ethyl 5-methyl-2-propan-2-ylcyclohexane-1-carboxylate

C15H28O4 — CID 21426272

IUPAC2-(2-hydroxyethoxy)ethyl 5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
SMILESCC1CCC(C(C)C)C(C(=O)OCCOCCO)C1
InChIInChI=1S/C15H28O4/c1-11(2)13-5-4-12(3)10-14(13)15(17)19-9-8-18-7-6-16/h11-14,16H,4-10H2,1-3H3
InChIKeyFZGWYYRBDXDTFN-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.25
Rot. Bonds7

About 2-(2-hydroxyethoxy)ethyl 5-methyl-2-propan-2-ylcyclohexane-1-carboxylate

2-(2-hydroxyethoxy)ethyl 5-methyl-2-propan-2-ylcyclohexane-1-carboxylate (PubChem CID 21426272) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl 5-methyl-2-propan-2-ylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl 5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
PubChem CID21426272
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name2-(2-hydroxyethoxy)ethyl 5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
SMILESCC1CCC(C(C)C)C(C(=O)OCCOCCO)C1
InChIInChI=1S/C15H28O4/c1-11(2)13-5-4-12(3)10-14(13)15(17)19-9-8-18-7-6-16/h11-14,16H,4-10H2,1-3H3
InChIKeyFZGWYYRBDXDTFN-UHFFFAOYSA-N
XLogP2.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxypropyl (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate;2-hydroxyethyl (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 159165729
2-phenylethyl (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 129275689
2-(2-hydroxyethoxy)ethyl 3-(5-methyl-2-propan-2-ylcyclohexyl)prop-2-enoate;1-methyl-4-propan-2-ylcyclohexane
CID 69416859
2-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ethoxy]ethanol
CID 141258734
phenacyl (1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 73053416
5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66645461
(1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 58330084
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxycarbonyl]cyclohexane-1,2-dicarboxylic acid
CID 66984163
propyl (2R)-2-[(5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]arsanylpropanoate
CID 173436391
ethyl (2S)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
CID 142760008
5-methyl-N-oxo-2-propan-2-ylcyclohexane-1-carboxamide
CID 87694717

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl 5-methyl-2-propan-2-ylcyclohexane-1-carboxylate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl 5-methyl-2-propan-2-ylcyclohexane-1-carboxylate (CID 21426272) is 2-(2-hydroxyethoxy)ethyl 5-methyl-2-propan-2-ylcyclohexane-1-carboxylate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl 5-methyl-2-propan-2-ylcyclohexane-1-carboxylate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl 5-methyl-2-propan-2-ylcyclohexane-1-carboxylate is CC1CCC(C(C)C)C(C(=O)OCCOCCO)C1.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl 5-methyl-2-propan-2-ylcyclohexane-1-carboxylate?
The InChIKey is FZGWYYRBDXDTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-11(2)13-5-4-12(3)10-14(13)15(17)19-9-8-18-7-6-16/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 2-(2-hydroxyethoxy)ethyl 5-methyl-2-propan-2-ylcyclohexane-1-carboxylate?
2-(2-hydroxyethoxy)ethyl 5-methyl-2-propan-2-ylcyclohexane-1-carboxylate has a molecular weight of 272.38 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl 5-methyl-2-propan-2-ylcyclohexane-1-carboxylate is sourced from PubChem (CID 21426272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).