2,2-dibutyl-4,7-dimethoxy-1,3-dihydroindene

C19H30O2 — CID 139220157

IUPAC2,2-dibutyl-4,7-dimethoxy-1,3-dihydroindene
SMILESCCCCC1(CCCC)Cc2c(OC)ccc(OC)c2C1
InChIInChI=1S/C19H30O2/c1-5-7-11-19(12-8-6-2)13-15-16(14-19)18(21-4)10-9-17(15)20-3/h9-10H,5-8,11-14H2,1-4H3
InChIKeyPAYBIINSTUQHNF-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.17
Rot. Bonds8

About 2,2-dibutyl-4,7-dimethoxy-1,3-dihydroindene

2,2-dibutyl-4,7-dimethoxy-1,3-dihydroindene (PubChem CID 139220157) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2,2-dibutyl-4,7-dimethoxy-1,3-dihydroindene.

Molecular Properties

Compound Name2,2-dibutyl-4,7-dimethoxy-1,3-dihydroindene
PubChem CID139220157
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name2,2-dibutyl-4,7-dimethoxy-1,3-dihydroindene
SMILESCCCCC1(CCCC)Cc2c(OC)ccc(OC)c2C1
InChIInChI=1S/C19H30O2/c1-5-7-11-19(12-8-6-2)13-15-16(14-19)18(21-4)10-9-17(15)20-3/h9-10H,5-8,11-14H2,1-4H3
InChIKeyPAYBIINSTUQHNF-UHFFFAOYSA-N
XLogP5.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 8456
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CID 6932
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2,3-Dimethylanisole
CID 76269
2-tert-Butyl-1,4-dimethoxybenzene
CID 88792
Benzene, 1,4-dimethoxy-2-(2-propenyl)-
CID 92534
Benzene, 1,4-bis(1,1-dimethylethyl)-2,5-dimethoxy-
CID 138995
6-tert-Butyl-3-methylanisole
CID 66615
2,5-Dimethoxy-p-cymene
CID 6427071
Benzene, 1,4-dimethoxy-2,3-dimethyl-
CID 148299
Benzene, 1,4-dibutoxy-2,5-bis(1,1-dimethylethyl)-
CID 86378
1,4-Dimethoxy-2-methyl-5-(prop-1-en-2-yl)benzene
CID 14485987

Frequently Asked Questions

What is the IUPAC name of 2,2-dibutyl-4,7-dimethoxy-1,3-dihydroindene?
The IUPAC name of 2,2-dibutyl-4,7-dimethoxy-1,3-dihydroindene (CID 139220157) is 2,2-dibutyl-4,7-dimethoxy-1,3-dihydroindene.
What is the SMILES notation for 2,2-dibutyl-4,7-dimethoxy-1,3-dihydroindene?
The canonical SMILES for 2,2-dibutyl-4,7-dimethoxy-1,3-dihydroindene is CCCCC1(CCCC)Cc2c(OC)ccc(OC)c2C1.
What is the InChIKey of 2,2-dibutyl-4,7-dimethoxy-1,3-dihydroindene?
The InChIKey is PAYBIINSTUQHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-5-7-11-19(12-8-6-2)13-15-16(14-19)18(21-4)10-9-17(15)20-3/h9-10H,5-8,11-14H2,1-4H3.
What are the key properties of 2,2-dibutyl-4,7-dimethoxy-1,3-dihydroindene?
2,2-dibutyl-4,7-dimethoxy-1,3-dihydroindene has a molecular weight of 290.45 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibutyl-4,7-dimethoxy-1,3-dihydroindene is sourced from PubChem (CID 139220157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).