1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene

C33H50O — CID 54159128

IUPAC1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene
SMILESCCCCCCCC=Cc1ccc(CCc2ccc(OCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C33H50O/c1-3-5-7-9-11-13-15-17-29-34-33-27-25-32(26-28-33)24-23-31-21-19-30(20-22-31)18-16-14-12-10-8-6-4-2/h16,18-22,25-28H,3-15,17,23-24,29H2,1-2H3
InChIKeyONEKCQDZFFOHGN-UHFFFAOYSA-N
MW462.76 g/mol
LogP10.36
Rot. Bonds20

About 1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene

1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene (PubChem CID 54159128) has the molecular formula C33H50O and a molecular weight of 462.76 g/mol. Its IUPAC name is 1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene
PubChem CID54159128
Molecular FormulaC33H50O
Molecular Weight462.76 g/mol
Exact Mass462.39
IUPAC Name1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene
SMILESCCCCCCCC=Cc1ccc(CCc2ccc(OCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C33H50O/c1-3-5-7-9-11-13-15-17-29-34-33-27-25-32(26-28-33)24-23-31-21-19-30(20-22-31)18-16-14-12-10-8-6-4-2/h16,18-22,25-28H,3-15,17,23-24,29H2,1-2H3
InChIKeyONEKCQDZFFOHGN-UHFFFAOYSA-N
XLogP10.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.76
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-hexoxy-4-[(E)-pent-1-enyl]benzene
CID 173201966
1-decyl-4-hept-1-enylbenzene
CID 173045869
1-[(E)-hex-1-enyl]-4-(hexoxymethoxy)benzene
CID 173339964
1-heptyl-4-[[4-[(E)-pent-1-enyl]phenoxy]methyl]benzene
CID 22991613
1-hexoxy-4-pentylbenzene
CID 54277450
1-nonoxy-4-propylbenzene
CID 118632119
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CID 169474720
1-butyl-4-[6-(4-pentoxyphenyl)hexa-1,5-dien-3-ynyl]benzene
CID 54336276
5-decoxy-2-[4-[(E)-hept-1-enyl]phenyl]pyrimidine
CID 15452351
1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101334756
1-hexyl-4-(4-methoxybut-1-enyl)benzene
CID 69349252
1-[(Z)-pent-3-enyl]-4-pentoxybenzene
CID 83932611

Frequently Asked Questions

What is the IUPAC name of 1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene?
The IUPAC name of 1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene (CID 54159128) is 1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene.
What is the SMILES notation for 1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene?
The canonical SMILES for 1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene is CCCCCCCC=Cc1ccc(CCc2ccc(OCCCCCCCCCC)cc2)cc1.
What is the InChIKey of 1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene?
The InChIKey is ONEKCQDZFFOHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H50O/c1-3-5-7-9-11-13-15-17-29-34-33-27-25-32(26-28-33)24-23-31-21-19-30(20-22-31)18-16-14-12-10-8-6-4-2/h16,18-22,25-28H,3-15,17,23-24,29H2,1-2H3.
What are the key properties of 1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene?
1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene has a molecular weight of 462.76 g/mol, XLogP of 10.36, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene is sourced from PubChem (CID 54159128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).