(1S,2R)-1-methyl-2-[2-[2-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxy]ethoxy]ethoxy]-2,3-dihydro-1H-indene

C24H30O3 — CID 155763743

IUPAC(1S,2R)-1-methyl-2-[2-[2-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxy]ethoxy]ethoxy]-2,3-dihydro-1H-indene
SMILESC[C@H]1c2ccccc2C[C@H]1OCCOCCO[C@@H]1Cc2ccccc2[C@@H]1C
InChIInChI=1S/C24H30O3/c1-17-21-9-5-3-7-19(21)15-23(17)26-13-11-25-12-14-27-24-16-20-8-4-6-10-22(20)18(24)2/h3-10,17-18,23-24H,11-16H2,1-2H3/t17-,18-,23+,24+/m0/s1
InChIKeySRYMPVMJSMMUHF-XZUXRINTSA-N
MW366.50 g/mol
LogP4.49
Rot. Bonds8

About (1S,2R)-1-methyl-2-[2-[2-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxy]ethoxy]ethoxy]-2,3-dihydro-1H-indene

(1S,2R)-1-methyl-2-[2-[2-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxy]ethoxy]ethoxy]-2,3-dihydro-1H-indene (PubChem CID 155763743) has the molecular formula C24H30O3 and a molecular weight of 366.50 g/mol. Its IUPAC name is (1S,2R)-1-methyl-2-[2-[2-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxy]ethoxy]ethoxy]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1S,2R)-1-methyl-2-[2-[2-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxy]ethoxy]ethoxy]-2,3-dihydro-1H-indene
PubChem CID155763743
Molecular FormulaC24H30O3
Molecular Weight366.50 g/mol
Exact Mass366.22
IUPAC Name(1S,2R)-1-methyl-2-[2-[2-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxy]ethoxy]ethoxy]-2,3-dihydro-1H-indene
SMILESC[C@H]1c2ccccc2C[C@H]1OCCOCCO[C@@H]1Cc2ccccc2[C@@H]1C
InChIInChI=1S/C24H30O3/c1-17-21-9-5-3-7-19(21)15-23(17)26-13-11-25-12-14-27-24-16-20-8-4-6-10-22(20)18(24)2/h3-10,17-18,23-24H,11-16H2,1-2H3/t17-,18-,23+,24+/m0/s1
InChIKeySRYMPVMJSMMUHF-XZUXRINTSA-N
XLogP4.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (1S,2R)-1-methyl-2-[2-[2-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxy]ethoxy]ethoxy]-2,3-dihydro-1H-indene?
The IUPAC name of (1S,2R)-1-methyl-2-[2-[2-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxy]ethoxy]ethoxy]-2,3-dihydro-1H-indene (CID 155763743) is (1S,2R)-1-methyl-2-[2-[2-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxy]ethoxy]ethoxy]-2,3-dihydro-1H-indene.
What is the SMILES notation for (1S,2R)-1-methyl-2-[2-[2-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxy]ethoxy]ethoxy]-2,3-dihydro-1H-indene?
The canonical SMILES for (1S,2R)-1-methyl-2-[2-[2-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxy]ethoxy]ethoxy]-2,3-dihydro-1H-indene is C[C@H]1c2ccccc2C[C@H]1OCCOCCO[C@@H]1Cc2ccccc2[C@@H]1C.
What is the InChIKey of (1S,2R)-1-methyl-2-[2-[2-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxy]ethoxy]ethoxy]-2,3-dihydro-1H-indene?
The InChIKey is SRYMPVMJSMMUHF-XZUXRINTSA-N. The full InChI is InChI=1S/C24H30O3/c1-17-21-9-5-3-7-19(21)15-23(17)26-13-11-25-12-14-27-24-16-20-8-4-6-10-22(20)18(24)2/h3-10,17-18,23-24H,11-16H2,1-2H3/t17-,18-,23+,24+/m0/s1.
What are the key properties of (1S,2R)-1-methyl-2-[2-[2-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxy]ethoxy]ethoxy]-2,3-dihydro-1H-indene?
(1S,2R)-1-methyl-2-[2-[2-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxy]ethoxy]ethoxy]-2,3-dihydro-1H-indene has a molecular weight of 366.50 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-methyl-2-[2-[2-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxy]ethoxy]ethoxy]-2,3-dihydro-1H-indene is sourced from PubChem (CID 155763743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).