1-ethenyl-2-heptadecoxybenzene

C25H42O — CID 139672731

IUPAC1-ethenyl-2-heptadecoxybenzene
SMILESC=Cc1ccccc1OCCCCCCCCCCCCCCCCC
InChIInChI=1S/C25H42O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26-25-22-19-18-21-24(25)4-2/h4,18-19,21-22H,2-3,5-17,20,23H2,1H3
InChIKeyOVZFPVRLQSCZAP-UHFFFAOYSA-N
MW358.61 g/mol
LogP8.58
Rot. Bonds18

About 1-ethenyl-2-heptadecoxybenzene

1-ethenyl-2-heptadecoxybenzene (PubChem CID 139672731) has the molecular formula C25H42O and a molecular weight of 358.61 g/mol. Its IUPAC name is 1-ethenyl-2-heptadecoxybenzene.

Molecular Properties

Compound Name1-ethenyl-2-heptadecoxybenzene
PubChem CID139672731
Molecular FormulaC25H42O
Molecular Weight358.61 g/mol
Exact Mass358.32
IUPAC Name1-ethenyl-2-heptadecoxybenzene
SMILESC=Cc1ccccc1OCCCCCCCCCCCCCCCCC
InChIInChI=1S/C25H42O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26-25-22-19-18-21-24(25)4-2/h4,18-19,21-22H,2-3,5-17,20,23H2,1H3
InChIKeyOVZFPVRLQSCZAP-UHFFFAOYSA-N
XLogP8.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.61
LogP ≤ 58.58
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

4-(2-ethenylphenoxy)butan-1-ol
CID 101029392
(NZ)-N-[(2-heptoxyphenyl)methylidene]hydroxylamine
CID 112720770
2-ethenyl-1,4-di(tetradecoxy)benzene
CID 102407771
CID 19763871
CID 19763871
1-ethenyl-2-nonan-2-yloxybenzene
CID 142728019
1,4-bis[(E)-2-(4-ethenyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxybenzene
CID 101045476
1-ethenyl-3-methyl-2-octoxybenzene
CID 174464142
1-ethenyl-2-(4-tetradecoxyphenyl)benzene
CID 102407772
1-ethenyl-2-heptan-2-yloxybenzene
CID 142728020
2-tridecoxyphenol
CID 67178320
2-octoxyaniline
CID 14747235
1-ethenyl-2-methylbenzene;heptane
CID 173354339

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-heptadecoxybenzene?
The IUPAC name of 1-ethenyl-2-heptadecoxybenzene (CID 139672731) is 1-ethenyl-2-heptadecoxybenzene.
What is the SMILES notation for 1-ethenyl-2-heptadecoxybenzene?
The canonical SMILES for 1-ethenyl-2-heptadecoxybenzene is C=Cc1ccccc1OCCCCCCCCCCCCCCCCC.
What is the InChIKey of 1-ethenyl-2-heptadecoxybenzene?
The InChIKey is OVZFPVRLQSCZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26-25-22-19-18-21-24(25)4-2/h4,18-19,21-22H,2-3,5-17,20,23H2,1H3.
What are the key properties of 1-ethenyl-2-heptadecoxybenzene?
1-ethenyl-2-heptadecoxybenzene has a molecular weight of 358.61 g/mol, XLogP of 8.58, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-heptadecoxybenzene is sourced from PubChem (CID 139672731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).