(1S)-4-[2-[(1R)-1,7-dimethyl-1H-inden-4-yl]ethyl]-1,7-dimethyl-1H-indene

C24H26 — CID 18720350

IUPAC(1S)-4-[2-[(1R)-1,7-dimethyl-1H-inden-4-yl]ethyl]-1,7-dimethyl-1H-indene
SMILESCc1ccc(CCc2ccc(C)c3c2C=C[C@@H]3C)c2c1[C@H](C)C=C2
InChIInChI=1S/C24H26/c1-15-5-9-19(21-13-7-17(3)23(15)21)11-12-20-10-6-16(2)24-18(4)8-14-22(20)24/h5-10,13-14,17-18H,11-12H2,1-4H3/t17-,18+
InChIKeyIXVTZDDXSNENON-HDICACEKSA-N
MW314.47 g/mol
LogP6.35
Rot. Bonds3

About (1S)-4-[2-[(1R)-1,7-dimethyl-1H-inden-4-yl]ethyl]-1,7-dimethyl-1H-indene

(1S)-4-[2-[(1R)-1,7-dimethyl-1H-inden-4-yl]ethyl]-1,7-dimethyl-1H-indene (PubChem CID 18720350) has the molecular formula C24H26 and a molecular weight of 314.47 g/mol. Its IUPAC name is (1S)-4-[2-[(1R)-1,7-dimethyl-1H-inden-4-yl]ethyl]-1,7-dimethyl-1H-indene.

Molecular Properties

Compound Name(1S)-4-[2-[(1R)-1,7-dimethyl-1H-inden-4-yl]ethyl]-1,7-dimethyl-1H-indene
PubChem CID18720350
Molecular FormulaC24H26
Molecular Weight314.47 g/mol
Exact Mass314.20
IUPAC Name(1S)-4-[2-[(1R)-1,7-dimethyl-1H-inden-4-yl]ethyl]-1,7-dimethyl-1H-indene
SMILESCc1ccc(CCc2ccc(C)c3c2C=C[C@@H]3C)c2c1[C@H](C)C=C2
InChIInChI=1S/C24H26/c1-15-5-9-19(21-13-7-17(3)23(15)21)11-12-20-10-6-16(2)24-18(4)8-14-22(20)24/h5-10,13-14,17-18H,11-12H2,1-4H3/t17-,18+
InChIKeyIXVTZDDXSNENON-HDICACEKSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S)-4-[2-[(1R)-1,7-dimethyl-1H-inden-4-yl]ethyl]-1,7-dimethyl-1H-indene?
The IUPAC name of (1S)-4-[2-[(1R)-1,7-dimethyl-1H-inden-4-yl]ethyl]-1,7-dimethyl-1H-indene (CID 18720350) is (1S)-4-[2-[(1R)-1,7-dimethyl-1H-inden-4-yl]ethyl]-1,7-dimethyl-1H-indene.
What is the SMILES notation for (1S)-4-[2-[(1R)-1,7-dimethyl-1H-inden-4-yl]ethyl]-1,7-dimethyl-1H-indene?
The canonical SMILES for (1S)-4-[2-[(1R)-1,7-dimethyl-1H-inden-4-yl]ethyl]-1,7-dimethyl-1H-indene is Cc1ccc(CCc2ccc(C)c3c2C=C[C@@H]3C)c2c1[C@H](C)C=C2.
What is the InChIKey of (1S)-4-[2-[(1R)-1,7-dimethyl-1H-inden-4-yl]ethyl]-1,7-dimethyl-1H-indene?
The InChIKey is IXVTZDDXSNENON-HDICACEKSA-N. The full InChI is InChI=1S/C24H26/c1-15-5-9-19(21-13-7-17(3)23(15)21)11-12-20-10-6-16(2)24-18(4)8-14-22(20)24/h5-10,13-14,17-18H,11-12H2,1-4H3/t17-,18+.
What are the key properties of (1S)-4-[2-[(1R)-1,7-dimethyl-1H-inden-4-yl]ethyl]-1,7-dimethyl-1H-indene?
(1S)-4-[2-[(1R)-1,7-dimethyl-1H-inden-4-yl]ethyl]-1,7-dimethyl-1H-indene has a molecular weight of 314.47 g/mol, XLogP of 6.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-[2-[(1R)-1,7-dimethyl-1H-inden-4-yl]ethyl]-1,7-dimethyl-1H-indene is sourced from PubChem (CID 18720350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).