(5-methyl-2-propan-2-ylcyclohexyl) tetradecanoate

C24H46O2 — CID 90685308

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C24H46O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-24(25)26-23-19-21(4)17-18-22(23)20(2)3/h20-23H,5-19H2,1-4H3
InChIKeyHNZZQYMJJNOJHM-UHFFFAOYSA-N
MW366.63 g/mol
LogP7.69
Rot. Bonds14

About (5-methyl-2-propan-2-ylcyclohexyl) tetradecanoate

(5-methyl-2-propan-2-ylcyclohexyl) tetradecanoate (PubChem CID 90685308) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) tetradecanoate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) tetradecanoate
PubChem CID90685308
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C24H46O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-24(25)26-23-19-21(4)17-18-22(23)20(2)3/h20-23H,5-19H2,1-4H3
InChIKeyHNZZQYMJJNOJHM-UHFFFAOYSA-N
XLogP7.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) tetradecanoate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) tetradecanoate (CID 90685308) is (5-methyl-2-propan-2-ylcyclohexyl) tetradecanoate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) tetradecanoate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) tetradecanoate is CCCCCCCCCCCCCC(=O)OC1CC(C)CCC1C(C)C.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) tetradecanoate?
The InChIKey is HNZZQYMJJNOJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-24(25)26-23-19-21(4)17-18-22(23)20(2)3/h20-23H,5-19H2,1-4H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) tetradecanoate?
(5-methyl-2-propan-2-ylcyclohexyl) tetradecanoate has a molecular weight of 366.63 g/mol, XLogP of 7.69, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) tetradecanoate is sourced from PubChem (CID 90685308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).