4-(9-methyldecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid

C19H34O4 — CID 141262736

IUPAC4-(9-methyldecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid
SMILESCCC(CCCCCC(C)C)OC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C19H34O4/c1-4-17(9-7-5-6-8-14(2)3)23-19(22)16-12-10-15(11-13-16)18(20)21/h14-17H,4-13H2,1-3H3,(H,20,21)
InChIKeyFDOCWTHWUOJZDO-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.81
Rot. Bonds10

About 4-(9-methyldecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid

4-(9-methyldecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid (PubChem CID 141262736) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is 4-(9-methyldecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(9-methyldecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid
PubChem CID141262736
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Name4-(9-methyldecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid
SMILESCCC(CCCCCC(C)C)OC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C19H34O4/c1-4-17(9-7-5-6-8-14(2)3)23-19(22)16-12-10-15(11-13-16)18(20)21/h14-17H,4-13H2,1-3H3,(H,20,21)
InChIKeyFDOCWTHWUOJZDO-UHFFFAOYSA-N
XLogP4.81
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(10-methylundecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262823
4-(2,17-dimethyloctadecan-7-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262571
4-(19-methylicosan-9-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262721
4-(17-methyloctadecan-8-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262545
4-(16-methylheptadecan-7-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262658
4-(15-methylhexadecan-5-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262481
4-(2-methylicosan-7-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141263050
4-(2-methylpentadecan-5-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262865
4-(9-methyldecan-5-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262315
4-heptadecan-6-yloxycarbonylcyclohexane-1-carboxylic acid
CID 141262448
tetradecan-3-yl cyclopropanecarboxylate
CID 549496
tridecan-3-yl cyclopropanecarboxylate
CID 549494

Frequently Asked Questions

What is the IUPAC name of 4-(9-methyldecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(9-methyldecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid (CID 141262736) is 4-(9-methyldecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(9-methyldecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(9-methyldecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid is CCC(CCCCCC(C)C)OC(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(9-methyldecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is FDOCWTHWUOJZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O4/c1-4-17(9-7-5-6-8-14(2)3)23-19(22)16-12-10-15(11-13-16)18(20)21/h14-17H,4-13H2,1-3H3,(H,20,21).
What are the key properties of 4-(9-methyldecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid?
4-(9-methyldecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 326.48 g/mol, XLogP of 4.81, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-methyldecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 141262736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).