6-(3,3-dimethylbut-1-enyl)-2-[(Z)-3,3-dimethylbut-1-enyl]naphthalene

C22H28 — CID 162123922

IUPAC6-(3,3-dimethylbut-1-enyl)-2-[(Z)-3,3-dimethylbut-1-enyl]naphthalene
SMILESCC(C)(C)C=Cc1ccc2cc(/C=C\C(C)(C)C)ccc2c1
InChIInChI=1S/C22H28/c1-21(2,3)13-11-17-7-9-20-16-18(8-10-19(20)15-17)12-14-22(4,5)6/h7-16H,1-6H3/b13-11-,14-12?
InChIKeyNMZJITAITAESJI-CSXFVWEESA-N
MW292.47 g/mol
LogP6.96
Rot. Bonds2

About 6-(3,3-dimethylbut-1-enyl)-2-[(Z)-3,3-dimethylbut-1-enyl]naphthalene

6-(3,3-dimethylbut-1-enyl)-2-[(Z)-3,3-dimethylbut-1-enyl]naphthalene (PubChem CID 162123922) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 6-(3,3-dimethylbut-1-enyl)-2-[(Z)-3,3-dimethylbut-1-enyl]naphthalene.

Molecular Properties

Compound Name6-(3,3-dimethylbut-1-enyl)-2-[(Z)-3,3-dimethylbut-1-enyl]naphthalene
PubChem CID162123922
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name6-(3,3-dimethylbut-1-enyl)-2-[(Z)-3,3-dimethylbut-1-enyl]naphthalene
SMILESCC(C)(C)C=Cc1ccc2cc(/C=C\C(C)(C)C)ccc2c1
InChIInChI=1S/C22H28/c1-21(2,3)13-11-17-7-9-20-16-18(8-10-19(20)15-17)12-14-22(4,5)6/h7-16H,1-6H3/b13-11-,14-12?
InChIKeyNMZJITAITAESJI-CSXFVWEESA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylbut-1-enyl)-2-[(Z)-3,3-dimethylbut-1-enyl]naphthalene?
The IUPAC name of 6-(3,3-dimethylbut-1-enyl)-2-[(Z)-3,3-dimethylbut-1-enyl]naphthalene (CID 162123922) is 6-(3,3-dimethylbut-1-enyl)-2-[(Z)-3,3-dimethylbut-1-enyl]naphthalene.
What is the SMILES notation for 6-(3,3-dimethylbut-1-enyl)-2-[(Z)-3,3-dimethylbut-1-enyl]naphthalene?
The canonical SMILES for 6-(3,3-dimethylbut-1-enyl)-2-[(Z)-3,3-dimethylbut-1-enyl]naphthalene is CC(C)(C)C=Cc1ccc2cc(/C=C\C(C)(C)C)ccc2c1.
What is the InChIKey of 6-(3,3-dimethylbut-1-enyl)-2-[(Z)-3,3-dimethylbut-1-enyl]naphthalene?
The InChIKey is NMZJITAITAESJI-CSXFVWEESA-N. The full InChI is InChI=1S/C22H28/c1-21(2,3)13-11-17-7-9-20-16-18(8-10-19(20)15-17)12-14-22(4,5)6/h7-16H,1-6H3/b13-11-,14-12?.
What are the key properties of 6-(3,3-dimethylbut-1-enyl)-2-[(Z)-3,3-dimethylbut-1-enyl]naphthalene?
6-(3,3-dimethylbut-1-enyl)-2-[(Z)-3,3-dimethylbut-1-enyl]naphthalene has a molecular weight of 292.47 g/mol, XLogP of 6.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylbut-1-enyl)-2-[(Z)-3,3-dimethylbut-1-enyl]naphthalene is sourced from PubChem (CID 162123922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).