3-(9-methyldecan-5-yloxycarbonyl)cyclohexane-1-carboxylic acid

C19H34O4 — CID 141262988

IUPAC3-(9-methyldecan-5-yloxycarbonyl)cyclohexane-1-carboxylic acid
SMILESCCCCC(CCCC(C)C)OC(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C19H34O4/c1-4-5-11-17(12-6-8-14(2)3)23-19(22)16-10-7-9-15(13-16)18(20)21/h14-17H,4-13H2,1-3H3,(H,20,21)
InChIKeyDDSYLJNXQGFLQH-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.81
Rot. Bonds10

About 3-(9-methyldecan-5-yloxycarbonyl)cyclohexane-1-carboxylic acid

3-(9-methyldecan-5-yloxycarbonyl)cyclohexane-1-carboxylic acid (PubChem CID 141262988) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is 3-(9-methyldecan-5-yloxycarbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(9-methyldecan-5-yloxycarbonyl)cyclohexane-1-carboxylic acid
PubChem CID141262988
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Name3-(9-methyldecan-5-yloxycarbonyl)cyclohexane-1-carboxylic acid
SMILESCCCCC(CCCC(C)C)OC(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C19H34O4/c1-4-5-11-17(12-6-8-14(2)3)23-19(22)16-10-7-9-15(13-16)18(20)21/h14-17H,4-13H2,1-3H3,(H,20,21)
InChIKeyDDSYLJNXQGFLQH-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

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Related Compounds

3-(17-methyloctadecan-9-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262646
3-(2-methylhenicosan-11-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262953
3-octadecan-5-yloxycarbonylcyclohexane-1-carboxylic acid
CID 141262619
3-pentadecan-5-yloxycarbonylcyclohexane-1-carboxylic acid
CID 141262541
3-heptadecan-8-yloxycarbonylcyclohexane-1-carboxylic acid
CID 141262281
4-(9-methyldecan-5-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262315
3-(2-methyl-8-propyltridecan-6-yl)oxycarbonylcyclohexane-1-carboxylic acid
CID 141262465
3-(2-methylhexadecan-4-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262887
4-(15-methylhexadecan-5-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262481
3-(5-ethyl-13-methyltetradecan-6-yl)oxycarbonylcyclohexane-1-carboxylic acid
CID 141262818
4-(19-methylicosan-9-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262721
4-(2-methylicosan-7-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141263050

Frequently Asked Questions

What is the IUPAC name of 3-(9-methyldecan-5-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(9-methyldecan-5-yloxycarbonyl)cyclohexane-1-carboxylic acid (CID 141262988) is 3-(9-methyldecan-5-yloxycarbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(9-methyldecan-5-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(9-methyldecan-5-yloxycarbonyl)cyclohexane-1-carboxylic acid is CCCCC(CCCC(C)C)OC(=O)C1CCCC(C(=O)O)C1.
What is the InChIKey of 3-(9-methyldecan-5-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is DDSYLJNXQGFLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O4/c1-4-5-11-17(12-6-8-14(2)3)23-19(22)16-10-7-9-15(13-16)18(20)21/h14-17H,4-13H2,1-3H3,(H,20,21).
What are the key properties of 3-(9-methyldecan-5-yloxycarbonyl)cyclohexane-1-carboxylic acid?
3-(9-methyldecan-5-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 3-(9-methyldecan-5-yloxycarbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 141262988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).