5,5,8,8-tetramethyl-3-propoxy-6,7-dihydronaphthalene-2-carbonitrile

C18H25NO — CID 67848234

IUPAC5,5,8,8-tetramethyl-3-propoxy-6,7-dihydronaphthalene-2-carbonitrile
SMILESCCCOc1cc2c(cc1C#N)C(C)(C)CCC2(C)C
InChIInChI=1S/C18H25NO/c1-6-9-20-16-11-15-14(10-13(16)12-19)17(2,3)7-8-18(15,4)5/h10-11H,6-9H2,1-5H3
InChIKeyCYWZLBGYIDVNSA-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.70
Rot. Bonds3

About 5,5,8,8-tetramethyl-3-propoxy-6,7-dihydronaphthalene-2-carbonitrile

5,5,8,8-tetramethyl-3-propoxy-6,7-dihydronaphthalene-2-carbonitrile (PubChem CID 67848234) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 5,5,8,8-tetramethyl-3-propoxy-6,7-dihydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name5,5,8,8-tetramethyl-3-propoxy-6,7-dihydronaphthalene-2-carbonitrile
PubChem CID67848234
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name5,5,8,8-tetramethyl-3-propoxy-6,7-dihydronaphthalene-2-carbonitrile
SMILESCCCOc1cc2c(cc1C#N)C(C)(C)CCC2(C)C
InChIInChI=1S/C18H25NO/c1-6-9-20-16-11-15-14(10-13(16)12-19)17(2,3)7-8-18(15,4)5/h10-11H,6-9H2,1-5H3
InChIKeyCYWZLBGYIDVNSA-UHFFFAOYSA-N
XLogP4.70
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-3-(5,5,8,8-tetramethyl-3-propoxy-6,7-dihydronaphthalen-2-yl)but-2-enenitrile
CID 10149664
(5,5,8,8-tetramethyl-3-propoxy-6,7-dihydronaphthalen-2-yl)boronic acid
CID 22345469
(E)-3-(5,5,8,8-tetramethyl-3-propoxy-6,7-dihydronaphthalen-2-yl)but-2-enal
CID 12020737
2-butoxy-4-methylsulfanyloxybenzonitrile
CID 143156501
5-dioxidoboranyloxy-2-propoxybenzonitrile
CID 86756813
3-butoxynaphthalene-2,7-dicarbonitrile
CID 23118700
(3-cyano-4-propoxyphenyl)boronic acid
CID 53439493
2-bromo-4-propoxybenzonitrile
CID 104573953
3,3-dimethyl-5,6-dipropoxy-2H-inden-1-one
CID 79838210
2-cyclobutyl-5-propoxypyridine-4-carbonitrile
CID 132588867
2-butoxy-4-methylsulfonylbenzonitrile
CID 59169933
N-(4-butoxy-3-cyanophenyl)-1-methylcyclopentane-1-carboxamide
CID 100751895

Frequently Asked Questions

What is the IUPAC name of 5,5,8,8-tetramethyl-3-propoxy-6,7-dihydronaphthalene-2-carbonitrile?
The IUPAC name of 5,5,8,8-tetramethyl-3-propoxy-6,7-dihydronaphthalene-2-carbonitrile (CID 67848234) is 5,5,8,8-tetramethyl-3-propoxy-6,7-dihydronaphthalene-2-carbonitrile.
What is the SMILES notation for 5,5,8,8-tetramethyl-3-propoxy-6,7-dihydronaphthalene-2-carbonitrile?
The canonical SMILES for 5,5,8,8-tetramethyl-3-propoxy-6,7-dihydronaphthalene-2-carbonitrile is CCCOc1cc2c(cc1C#N)C(C)(C)CCC2(C)C.
What is the InChIKey of 5,5,8,8-tetramethyl-3-propoxy-6,7-dihydronaphthalene-2-carbonitrile?
The InChIKey is CYWZLBGYIDVNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-6-9-20-16-11-15-14(10-13(16)12-19)17(2,3)7-8-18(15,4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of 5,5,8,8-tetramethyl-3-propoxy-6,7-dihydronaphthalene-2-carbonitrile?
5,5,8,8-tetramethyl-3-propoxy-6,7-dihydronaphthalene-2-carbonitrile has a molecular weight of 271.40 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,8,8-tetramethyl-3-propoxy-6,7-dihydronaphthalene-2-carbonitrile is sourced from PubChem (CID 67848234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).