[2-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)cyclohexyl] formate

C22H30O3 — CID 57257912

IUPAC[2-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)cyclohexyl] formate
SMILESCC1C(C)(C)c2ccc(C(=O)C3CCCCC3OC=O)cc2C1(C)C
InChIInChI=1S/C22H30O3/c1-14-21(2,3)17-11-10-15(12-18(17)22(14,4)5)20(24)16-8-6-7-9-19(16)25-13-23/h10-14,16,19H,6-9H2,1-5H3
InChIKeyNNPJSIKVIDPFNY-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.81
Rot. Bonds4

About [2-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)cyclohexyl] formate

[2-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)cyclohexyl] formate (PubChem CID 57257912) has the molecular formula C22H30O3 and a molecular weight of 342.48 g/mol. Its IUPAC name is [2-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)cyclohexyl] formate.

Molecular Properties

Compound Name[2-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)cyclohexyl] formate
PubChem CID57257912
Molecular FormulaC22H30O3
Molecular Weight342.48 g/mol
Exact Mass342.22
IUPAC Name[2-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)cyclohexyl] formate
SMILESCC1C(C)(C)c2ccc(C(=O)C3CCCCC3OC=O)cc2C1(C)C
InChIInChI=1S/C22H30O3/c1-14-21(2,3)17-11-10-15(12-18(17)22(14,4)5)20(24)16-8-6-7-9-19(16)25-13-23/h10-14,16,19H,6-9H2,1-5H3
InChIKeyNNPJSIKVIDPFNY-UHFFFAOYSA-N
XLogP4.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)cyclohexyl] formate?
The IUPAC name of [2-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)cyclohexyl] formate (CID 57257912) is [2-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)cyclohexyl] formate.
What is the SMILES notation for [2-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)cyclohexyl] formate?
The canonical SMILES for [2-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)cyclohexyl] formate is CC1C(C)(C)c2ccc(C(=O)C3CCCCC3OC=O)cc2C1(C)C.
What is the InChIKey of [2-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)cyclohexyl] formate?
The InChIKey is NNPJSIKVIDPFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O3/c1-14-21(2,3)17-11-10-15(12-18(17)22(14,4)5)20(24)16-8-6-7-9-19(16)25-13-23/h10-14,16,19H,6-9H2,1-5H3.
What are the key properties of [2-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)cyclohexyl] formate?
[2-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)cyclohexyl] formate has a molecular weight of 342.48 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1,2,3,3-pentamethyl-2H-indene-5-carbonyl)cyclohexyl] formate is sourced from PubChem (CID 57257912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).