2-tert-butyl-5-(1-cyclohexyloxyethoxy)-1-propan-2-yl-2,3,4,5-tetrahydro-1H-indene

C24H40O2 — CID 123860472

IUPAC2-tert-butyl-5-(1-cyclohexyloxyethoxy)-1-propan-2-yl-2,3,4,5-tetrahydro-1H-indene
SMILESCC(OC1C=CC2=C(C1)CC(C(C)(C)C)C2C(C)C)OC1CCCCC1
InChIInChI=1S/C24H40O2/c1-16(2)23-21-13-12-20(14-18(21)15-22(23)24(4,5)6)26-17(3)25-19-10-8-7-9-11-19/h12-13,16-17,19-20,22-23H,7-11,14-15H2,1-6H3
InChIKeyNUPOLMPATASJDD-UHFFFAOYSA-N
MW360.58 g/mol
LogP6.66
Rot. Bonds5

About 2-tert-butyl-5-(1-cyclohexyloxyethoxy)-1-propan-2-yl-2,3,4,5-tetrahydro-1H-indene

2-tert-butyl-5-(1-cyclohexyloxyethoxy)-1-propan-2-yl-2,3,4,5-tetrahydro-1H-indene (PubChem CID 123860472) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is 2-tert-butyl-5-(1-cyclohexyloxyethoxy)-1-propan-2-yl-2,3,4,5-tetrahydro-1H-indene.

Molecular Properties

Compound Name2-tert-butyl-5-(1-cyclohexyloxyethoxy)-1-propan-2-yl-2,3,4,5-tetrahydro-1H-indene
PubChem CID123860472
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Name2-tert-butyl-5-(1-cyclohexyloxyethoxy)-1-propan-2-yl-2,3,4,5-tetrahydro-1H-indene
SMILESCC(OC1C=CC2=C(C1)CC(C(C)(C)C)C2C(C)C)OC1CCCCC1
InChIInChI=1S/C24H40O2/c1-16(2)23-21-13-12-20(14-18(21)15-22(23)24(4,5)6)26-17(3)25-19-10-8-7-9-11-19/h12-13,16-17,19-20,22-23H,7-11,14-15H2,1-6H3
InChIKeyNUPOLMPATASJDD-UHFFFAOYSA-N
XLogP6.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(1-cyclohexyloxyethoxy)-1-propan-2-yl-2,3,4,5-tetrahydro-1H-indene?
The IUPAC name of 2-tert-butyl-5-(1-cyclohexyloxyethoxy)-1-propan-2-yl-2,3,4,5-tetrahydro-1H-indene (CID 123860472) is 2-tert-butyl-5-(1-cyclohexyloxyethoxy)-1-propan-2-yl-2,3,4,5-tetrahydro-1H-indene.
What is the SMILES notation for 2-tert-butyl-5-(1-cyclohexyloxyethoxy)-1-propan-2-yl-2,3,4,5-tetrahydro-1H-indene?
The canonical SMILES for 2-tert-butyl-5-(1-cyclohexyloxyethoxy)-1-propan-2-yl-2,3,4,5-tetrahydro-1H-indene is CC(OC1C=CC2=C(C1)CC(C(C)(C)C)C2C(C)C)OC1CCCCC1.
What is the InChIKey of 2-tert-butyl-5-(1-cyclohexyloxyethoxy)-1-propan-2-yl-2,3,4,5-tetrahydro-1H-indene?
The InChIKey is NUPOLMPATASJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O2/c1-16(2)23-21-13-12-20(14-18(21)15-22(23)24(4,5)6)26-17(3)25-19-10-8-7-9-11-19/h12-13,16-17,19-20,22-23H,7-11,14-15H2,1-6H3.
What are the key properties of 2-tert-butyl-5-(1-cyclohexyloxyethoxy)-1-propan-2-yl-2,3,4,5-tetrahydro-1H-indene?
2-tert-butyl-5-(1-cyclohexyloxyethoxy)-1-propan-2-yl-2,3,4,5-tetrahydro-1H-indene has a molecular weight of 360.58 g/mol, XLogP of 6.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(1-cyclohexyloxyethoxy)-1-propan-2-yl-2,3,4,5-tetrahydro-1H-indene is sourced from PubChem (CID 123860472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).