1-cyclohexyloxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid

C18H28O4 — CID 150943893

IUPAC1-cyclohexyloxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1CCC2CCCCC2C1C(=O)OC1CCCCC1
InChIInChI=1S/C18H28O4/c19-17(20)15-11-10-12-6-4-5-9-14(12)16(15)18(21)22-13-7-2-1-3-8-13/h12-16H,1-11H2,(H,19,20)
InChIKeyLIQCMQMMUYPLRB-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.78
Rot. Bonds3

About 1-cyclohexyloxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid

1-cyclohexyloxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid (PubChem CID 150943893) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-cyclohexyloxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyloxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid
PubChem CID150943893
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name1-cyclohexyloxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid
SMILESO=C(O)C1CCC2CCCCC2C1C(=O)OC1CCCCC1
InChIInChI=1S/C18H28O4/c19-17(20)15-11-10-12-6-4-5-9-14(12)16(15)18(21)22-13-7-2-1-3-8-13/h12-16H,1-11H2,(H,19,20)
InChIKeyLIQCMQMMUYPLRB-UHFFFAOYSA-N
XLogP3.78
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid
CID 12992914
4-cyclohexyloxycarbonylcyclohexane-1-carboxylic acid
CID 23444122
cyclooctyl cyclooctanecarboxylate
CID 57160377
4-cyclopentyloxycarbonylcyclohexane-1-carboxylic acid
CID 154411856
2-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1-carboxylic acid
CID 178190225
2-cyclononylcyclohexane-1,4-dicarboxylic acid
CID 139878534
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid
CID 18691683
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid;manganese
CID 70185276
[4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate
CID 118132173
cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid
CID 95788683
cycloheptyl hydrogen carbonate
CID 23179405

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid?
The IUPAC name of 1-cyclohexyloxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid (CID 150943893) is 1-cyclohexyloxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-cyclohexyloxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 1-cyclohexyloxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid is O=C(O)C1CCC2CCCCC2C1C(=O)OC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid?
The InChIKey is LIQCMQMMUYPLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4/c19-17(20)15-11-10-12-6-4-5-9-14(12)16(15)18(21)22-13-7-2-1-3-8-13/h12-16H,1-11H2,(H,19,20).
What are the key properties of 1-cyclohexyloxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid?
1-cyclohexyloxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid has a molecular weight of 308.42 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 150943893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).