1-(3,7-dimethyloctoxy)-3-(1-phenylethenyl)benzene

C24H32O — CID 54179192

IUPAC1-(3,7-dimethyloctoxy)-3-(1-phenylethenyl)benzene
SMILESC=C(c1ccccc1)c1cccc(OCCC(C)CCCC(C)C)c1
InChIInChI=1S/C24H32O/c1-19(2)10-8-11-20(3)16-17-25-24-15-9-14-23(18-24)21(4)22-12-6-5-7-13-22/h5-7,9,12-15,18-20H,4,8,10-11,16-17H2,1-3H3
InChIKeyIQXGIGREPMIGOB-UHFFFAOYSA-N
MW336.52 g/mol
LogP6.98
Rot. Bonds10

About 1-(3,7-dimethyloctoxy)-3-(1-phenylethenyl)benzene

1-(3,7-dimethyloctoxy)-3-(1-phenylethenyl)benzene (PubChem CID 54179192) has the molecular formula C24H32O and a molecular weight of 336.52 g/mol. Its IUPAC name is 1-(3,7-dimethyloctoxy)-3-(1-phenylethenyl)benzene.

Molecular Properties

Compound Name1-(3,7-dimethyloctoxy)-3-(1-phenylethenyl)benzene
PubChem CID54179192
Molecular FormulaC24H32O
Molecular Weight336.52 g/mol
Exact Mass336.25
IUPAC Name1-(3,7-dimethyloctoxy)-3-(1-phenylethenyl)benzene
SMILESC=C(c1ccccc1)c1cccc(OCCC(C)CCCC(C)C)c1
InChIInChI=1S/C24H32O/c1-19(2)10-8-11-20(3)16-17-25-24-15-9-14-23(18-24)21(4)22-12-6-5-7-13-22/h5-7,9,12-15,18-20H,4,8,10-11,16-17H2,1-3H3
InChIKeyIQXGIGREPMIGOB-UHFFFAOYSA-N
XLogP6.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1,2-dibromo-2-[3-(3,7-dimethyloctoxy)phenyl]ethenyl]-3-(3,7-dimethyloctoxy)benzene
CID 87315909
1-methoxy-3-(3,7,11,15-tetramethylhexadecoxy)benzene
CID 141321330
1-(2,7-dimethyloctoxy)-3-(1-methoxyethenyl)benzene
CID 54347923
1-(3,7-dimethyloctoxy)-3-(4-methoxyphenyl)benzene
CID 141001120
3-[3-(3-methylbutoxy)benzoyl]oxybenzoic acid
CID 54855119
[2-chloro-5-(3,7,11,15-tetramethylhexadecoxy)phenyl]-phenylmethanol
CID 141321336
[2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol
CID 56940895
2,3,6,7,10,11-hexakis[(3R)-3,7-dimethyloctoxy]triphenylene
CID 100942085
2,3,6,7,10,11-hexakis(3,7-dimethyloctoxy)triphenylene
CID 11320772
2-phenoxyethyl 3,7-dimethyloctanoate
CID 59236958
3-(2,6,10-trimethylundecoxy)quinoxalino[2,3-b]quinoxaline
CID 102435606
1,4-bis(bromomethyl)-2-[3-(3,7-dimethyloctoxy)phenoxy]benzene
CID 101223776

Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethyloctoxy)-3-(1-phenylethenyl)benzene?
The IUPAC name of 1-(3,7-dimethyloctoxy)-3-(1-phenylethenyl)benzene (CID 54179192) is 1-(3,7-dimethyloctoxy)-3-(1-phenylethenyl)benzene.
What is the SMILES notation for 1-(3,7-dimethyloctoxy)-3-(1-phenylethenyl)benzene?
The canonical SMILES for 1-(3,7-dimethyloctoxy)-3-(1-phenylethenyl)benzene is C=C(c1ccccc1)c1cccc(OCCC(C)CCCC(C)C)c1.
What is the InChIKey of 1-(3,7-dimethyloctoxy)-3-(1-phenylethenyl)benzene?
The InChIKey is IQXGIGREPMIGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O/c1-19(2)10-8-11-20(3)16-17-25-24-15-9-14-23(18-24)21(4)22-12-6-5-7-13-22/h5-7,9,12-15,18-20H,4,8,10-11,16-17H2,1-3H3.
What are the key properties of 1-(3,7-dimethyloctoxy)-3-(1-phenylethenyl)benzene?
1-(3,7-dimethyloctoxy)-3-(1-phenylethenyl)benzene has a molecular weight of 336.52 g/mol, XLogP of 6.98, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethyloctoxy)-3-(1-phenylethenyl)benzene is sourced from PubChem (CID 54179192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).