2-methyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]furan-3-carboxylic acid

C17H26O4 — CID 43477221

IUPAC2-methyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]furan-3-carboxylic acid
SMILESCc1oc(COC2CC(C)CCC2C(C)C)cc1C(=O)O
InChIInChI=1S/C17H26O4/c1-10(2)14-6-5-11(3)7-16(14)20-9-13-8-15(17(18)19)12(4)21-13/h8,10-11,14,16H,5-7,9H2,1-4H3,(H,18,19)
InChIKeyRXGZHVAQUNSXLP-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.26
Rot. Bonds5

About 2-methyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]furan-3-carboxylic acid

2-methyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]furan-3-carboxylic acid (PubChem CID 43477221) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-methyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]furan-3-carboxylic acid
PubChem CID43477221
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name2-methyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]furan-3-carboxylic acid
SMILESCc1oc(COC2CC(C)CCC2C(C)C)cc1C(=O)O
InChIInChI=1S/C17H26O4/c1-10(2)14-6-5-11(3)7-16(14)20-9-13-8-15(17(18)19)12(4)21-13/h8,10-11,14,16H,5-7,9H2,1-4H3,(H,18,19)
InChIKeyRXGZHVAQUNSXLP-UHFFFAOYSA-N
XLogP4.26
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzoic acid
CID 43099520
2-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylbenzoic acid
CID 18529176
2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid
CID 844972
2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
CID 7164421
5-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 103251961
3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]pyridine-2-carboxylic acid
CID 63072753
2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 68536872
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone
CID 43798246
5-bromo-2-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzoic acid
CID 114896117
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
[3-methyl-4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]phenyl]methanamine
CID 114479302

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]furan-3-carboxylic acid (CID 43477221) is 2-methyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]furan-3-carboxylic acid is Cc1oc(COC2CC(C)CCC2C(C)C)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]furan-3-carboxylic acid?
The InChIKey is RXGZHVAQUNSXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-10(2)14-6-5-11(3)7-16(14)20-9-13-8-15(17(18)19)12(4)21-13/h8,10-11,14,16H,5-7,9H2,1-4H3,(H,18,19).
What are the key properties of 2-methyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]furan-3-carboxylic acid?
2-methyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]furan-3-carboxylic acid has a molecular weight of 294.39 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]furan-3-carboxylic acid is sourced from PubChem (CID 43477221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).