3,3-dimethylbut-1-enylbenzene;1,2-xylene

C20H26 — CID 173385889

IUPAC3,3-dimethylbut-1-enylbenzene;1,2-xylene
SMILESCC(C)(C)C=Cc1ccccc1.Cc1ccccc1C
InChIInChI=1S/C12H16.C8H10/c1-12(2,3)10-9-11-7-5-4-6-8-11;1-7-5-3-4-6-8(7)2/h4-10H,1-3H3;3-6H,1-2H3
InChIKeyGMMHONXTUGOORY-UHFFFAOYSA-N
MW266.43 g/mol
LogP6.05
Rot. Bonds1

About 3,3-dimethylbut-1-enylbenzene;1,2-xylene

3,3-dimethylbut-1-enylbenzene;1,2-xylene (PubChem CID 173385889) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 3,3-dimethylbut-1-enylbenzene;1,2-xylene.

Molecular Properties

Compound Name3,3-dimethylbut-1-enylbenzene;1,2-xylene
PubChem CID173385889
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name3,3-dimethylbut-1-enylbenzene;1,2-xylene
SMILESCC(C)(C)C=Cc1ccccc1.Cc1ccccc1C
InChIInChI=1S/C12H16.C8H10/c1-12(2,3)10-9-11-7-5-4-6-8-11;1-7-5-3-4-6-8(7)2/h4-10H,1-3H3;3-6H,1-2H3
InChIKeyGMMHONXTUGOORY-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene;[(E)-3,3-dimethylbut-1-enyl]benzene
CID 158437299
4-(3,3-dimethylbut-1-enyl)-1,2-dimethylbenzene
CID 135010442
(Z)-3-methyl-1-phenylpent-1-en-3-ol
CID 20841410
3,3-dimethylbut-1-enylbenzene;2-methylidenebutanoic acid
CID 122506202
1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene
CID 22712636
benzene;1,2-xylene
CID 161464493
4,4-dimethylpent-2-enoic acid;5-phenylpenta-2,4-dienoic acid
CID 87778238
4-[(E)-3,3-dimethylbut-1-enyl]pyridine
CID 59172126
(E)-4-phenyl-2-trimethylsilylbut-3-en-2-ol
CID 102406299
2-phenoxyethenylbenzene;1,2-xylene
CID 174396691
3,3-dicyclopropylbut-1-enylbenzene
CID 173296746
1-chloro-3-[(E)-3,3-dimethylbut-1-enyl]benzene
CID 59987342

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbut-1-enylbenzene;1,2-xylene?
The IUPAC name of 3,3-dimethylbut-1-enylbenzene;1,2-xylene (CID 173385889) is 3,3-dimethylbut-1-enylbenzene;1,2-xylene.
What is the SMILES notation for 3,3-dimethylbut-1-enylbenzene;1,2-xylene?
The canonical SMILES for 3,3-dimethylbut-1-enylbenzene;1,2-xylene is CC(C)(C)C=Cc1ccccc1.Cc1ccccc1C.
What is the InChIKey of 3,3-dimethylbut-1-enylbenzene;1,2-xylene?
The InChIKey is GMMHONXTUGOORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C8H10/c1-12(2,3)10-9-11-7-5-4-6-8-11;1-7-5-3-4-6-8(7)2/h4-10H,1-3H3;3-6H,1-2H3.
What are the key properties of 3,3-dimethylbut-1-enylbenzene;1,2-xylene?
3,3-dimethylbut-1-enylbenzene;1,2-xylene has a molecular weight of 266.43 g/mol, XLogP of 6.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbut-1-enylbenzene;1,2-xylene is sourced from PubChem (CID 173385889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).