3-henicosoxyprop-1-enylbenzene

C30H52O — CID 139660432

IUPAC3-henicosoxyprop-1-enylbenzene
SMILESCCCCCCCCCCCCCCCCCCCCCOCC=Cc1ccccc1
InChIInChI=1S/C30H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-31-29-24-27-30-25-21-20-22-26-30/h20-22,24-27H,2-19,23,28-29H2,1H3
InChIKeyNACYKGMKPVSOKF-UHFFFAOYSA-N
MW428.75 g/mol
LogP10.15
Rot. Bonds23

About 3-henicosoxyprop-1-enylbenzene

3-henicosoxyprop-1-enylbenzene (PubChem CID 139660432) has the molecular formula C30H52O and a molecular weight of 428.75 g/mol. Its IUPAC name is 3-henicosoxyprop-1-enylbenzene.

Molecular Properties

Compound Name3-henicosoxyprop-1-enylbenzene
PubChem CID139660432
Molecular FormulaC30H52O
Molecular Weight428.75 g/mol
Exact Mass428.40
IUPAC Name3-henicosoxyprop-1-enylbenzene
SMILESCCCCCCCCCCCCCCCCCCCCCOCC=Cc1ccccc1
InChIInChI=1S/C30H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-31-29-24-27-30-25-21-20-22-26-30/h20-22,24-27H,2-19,23,28-29H2,1H3
InChIKeyNACYKGMKPVSOKF-UHFFFAOYSA-N
XLogP10.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.75
LogP ≤ 510.15
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

3-nonoxyprop-1-enylbenzene
CID 91487084
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
N-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine
CID 76946619
5-(3-phenylprop-2-enoxy)pentan-1-amine
CID 76943765
[(E)-3-[(2Z,4Z)-pentadeca-2,4-dienoxy]prop-1-enyl]benzene
CID 177413497
N-ethyl-4-(3-phenylprop-2-enoxy)butan-1-amine
CID 76943814
N-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine
CID 70406880
N,N-dimethyl-4-(3-phenylprop-2-enoxy)butan-1-amine
CID 70406914
N-ethyl-3-(3-phenylprop-2-enoxy)propan-1-amine
CID 76943842
[(E)-octadec-1-enyl]benzene
CID 22722345
4-(3-butoxyprop-1-enyl)benzaldehyde
CID 54299174
1,3-dimethyl-5-(3-pentoxyprop-1-enyl)benzene
CID 173058757

Frequently Asked Questions

What is the IUPAC name of 3-henicosoxyprop-1-enylbenzene?
The IUPAC name of 3-henicosoxyprop-1-enylbenzene (CID 139660432) is 3-henicosoxyprop-1-enylbenzene.
What is the SMILES notation for 3-henicosoxyprop-1-enylbenzene?
The canonical SMILES for 3-henicosoxyprop-1-enylbenzene is CCCCCCCCCCCCCCCCCCCCCOCC=Cc1ccccc1.
What is the InChIKey of 3-henicosoxyprop-1-enylbenzene?
The InChIKey is NACYKGMKPVSOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-31-29-24-27-30-25-21-20-22-26-30/h20-22,24-27H,2-19,23,28-29H2,1H3.
What are the key properties of 3-henicosoxyprop-1-enylbenzene?
3-henicosoxyprop-1-enylbenzene has a molecular weight of 428.75 g/mol, XLogP of 10.15, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-henicosoxyprop-1-enylbenzene is sourced from PubChem (CID 139660432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).