1,3-bis(dec-9-enoxy)-2-phenylbenzene

C32H46O2 — CID 134837533

IUPAC1,3-bis(dec-9-enoxy)-2-phenylbenzene
SMILESC=CCCCCCCCCOc1cccc(OCCCCCCCCC=C)c1-c1ccccc1
InChIInChI=1S/C32H46O2/c1-3-5-7-9-11-13-15-20-27-33-30-25-22-26-31(32(30)29-23-18-17-19-24-29)34-28-21-16-14-12-10-8-6-4-2/h3-4,17-19,22-26H,1-2,5-16,20-21,27-28H2
InChIKeyBFHSTSLAIFOHHB-UHFFFAOYSA-N
MW462.72 g/mol
LogP9.94
Rot. Bonds21

About 1,3-bis(dec-9-enoxy)-2-phenylbenzene

1,3-bis(dec-9-enoxy)-2-phenylbenzene (PubChem CID 134837533) has the molecular formula C32H46O2 and a molecular weight of 462.72 g/mol. Its IUPAC name is 1,3-bis(dec-9-enoxy)-2-phenylbenzene.

Molecular Properties

Compound Name1,3-bis(dec-9-enoxy)-2-phenylbenzene
PubChem CID134837533
Molecular FormulaC32H46O2
Molecular Weight462.72 g/mol
Exact Mass462.35
IUPAC Name1,3-bis(dec-9-enoxy)-2-phenylbenzene
SMILESC=CCCCCCCCCOc1cccc(OCCCCCCCCC=C)c1-c1ccccc1
InChIInChI=1S/C32H46O2/c1-3-5-7-9-11-13-15-20-27-33-30-25-22-26-31(32(30)29-23-18-17-19-24-29)34-28-21-16-14-12-10-8-6-4-2/h3-4,17-19,22-26H,1-2,5-16,20-21,27-28H2
InChIKeyBFHSTSLAIFOHHB-UHFFFAOYSA-N
XLogP9.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.72
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-(3-dec-9-enoxy-2-phenylphenoxy)decylphosphonic acid
CID 139934497
6-(3-non-8-enoxy-2-phenylphenoxy)hexylphosphonic acid
CID 139934501
2-bromo-1,3-bis(hex-5-enoxy)benzene
CID 10882709
5-(2-phenyl-3-undec-10-enoxyphenoxy)heptane-1-sulfonic acid
CID 139944186
(2-hept-6-enoxyphenyl)methanol
CID 107007457
1-ethyl-2-hept-6-enoxybenzene
CID 107010566
1-ethoxy-3-hexoxy-2-phenylbenzene
CID 141138385
dec-9-enoxymethylbenzene
CID 91868068
[2,6-bis(hex-5-enoxy)phenyl]boronic acid
CID 10860096
1-but-3-enoxy-2-phenylbenzene
CID 154014031
2-dec-9-enoxybenzoate
CID 22354189
1-heptoxy-2,3-diphenylbenzene
CID 91223664

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(dec-9-enoxy)-2-phenylbenzene?
The IUPAC name of 1,3-bis(dec-9-enoxy)-2-phenylbenzene (CID 134837533) is 1,3-bis(dec-9-enoxy)-2-phenylbenzene.
What is the SMILES notation for 1,3-bis(dec-9-enoxy)-2-phenylbenzene?
The canonical SMILES for 1,3-bis(dec-9-enoxy)-2-phenylbenzene is C=CCCCCCCCCOc1cccc(OCCCCCCCCC=C)c1-c1ccccc1.
What is the InChIKey of 1,3-bis(dec-9-enoxy)-2-phenylbenzene?
The InChIKey is BFHSTSLAIFOHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46O2/c1-3-5-7-9-11-13-15-20-27-33-30-25-22-26-31(32(30)29-23-18-17-19-24-29)34-28-21-16-14-12-10-8-6-4-2/h3-4,17-19,22-26H,1-2,5-16,20-21,27-28H2.
What are the key properties of 1,3-bis(dec-9-enoxy)-2-phenylbenzene?
1,3-bis(dec-9-enoxy)-2-phenylbenzene has a molecular weight of 462.72 g/mol, XLogP of 9.94, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(dec-9-enoxy)-2-phenylbenzene is sourced from PubChem (CID 134837533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).