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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Related Compounds

CID 931
CID 931
CID 2336
CID 2336
CID 8418
CID 8418
CID 995
CID 995
CID 31423
CID 31423
CID 7002
CID 7002
CID 1674
CID 1674
CID 7247
CID 7247
CID 5954
CID 5954
CID 9117
CID 9117
CID 9128
CID 9128
CID 9161
CID 9161

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).