1-heptadec-1-enoxy-2-methylbenzene

C24H40O — CID 156783905

IUPAC1-heptadec-1-enoxy-2-methylbenzene
SMILESCCCCCCCCCCCCCCCC=COc1ccccc1C
InChIInChI=1S/C24H40O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-24-21-18-17-20-23(24)2/h17-22H,3-16H2,1-2H3
InChIKeyNMWWCJALOCZJRM-UHFFFAOYSA-N
MW344.58 g/mol
LogP8.37
Rot. Bonds16

About 1-heptadec-1-enoxy-2-methylbenzene

1-heptadec-1-enoxy-2-methylbenzene (PubChem CID 156783905) has the molecular formula C24H40O and a molecular weight of 344.58 g/mol. Its IUPAC name is 1-heptadec-1-enoxy-2-methylbenzene.

Molecular Properties

Compound Name1-heptadec-1-enoxy-2-methylbenzene
PubChem CID156783905
Molecular FormulaC24H40O
Molecular Weight344.58 g/mol
Exact Mass344.31
IUPAC Name1-heptadec-1-enoxy-2-methylbenzene
SMILESCCCCCCCCCCCCCCCC=COc1ccccc1C
InChIInChI=1S/C24H40O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-24-21-18-17-20-23(24)2/h17-22H,3-16H2,1-2H3
InChIKeyNMWWCJALOCZJRM-UHFFFAOYSA-N
XLogP8.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.58
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-henicos-1-enoxy-2-methylbenzene
CID 156783878
2-non-1-enoxybenzenesulfonamide
CID 175911128
1-methyl-2-pentadecoxybenzene
CID 154641785
1-methyl-2-[(E)-oct-1-enyl]benzene
CID 11989536
1-[(E)-hept-1-enyl]-2-methylbenzene
CID 12013068
ethane;1-methyl-2-pentoxybenzene
CID 143283195
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
2-[(E)-hept-1-enyl]-1,3-dimethylbenzene
CID 102152874
1,3-dimethyl-2-oct-1-enylsulfanylbenzene
CID 71416611
icos-1-enylperoxymethylbenzene
CID 173446690
3-hydroxy-5-undec-1-enoxynaphthalene-2-carboxylic acid
CID 54431654
1-triacont-1-enoxytriacont-1-ene
CID 173373575

Frequently Asked Questions

What is the IUPAC name of 1-heptadec-1-enoxy-2-methylbenzene?
The IUPAC name of 1-heptadec-1-enoxy-2-methylbenzene (CID 156783905) is 1-heptadec-1-enoxy-2-methylbenzene.
What is the SMILES notation for 1-heptadec-1-enoxy-2-methylbenzene?
The canonical SMILES for 1-heptadec-1-enoxy-2-methylbenzene is CCCCCCCCCCCCCCCC=COc1ccccc1C.
What is the InChIKey of 1-heptadec-1-enoxy-2-methylbenzene?
The InChIKey is NMWWCJALOCZJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-24-21-18-17-20-23(24)2/h17-22H,3-16H2,1-2H3.
What are the key properties of 1-heptadec-1-enoxy-2-methylbenzene?
1-heptadec-1-enoxy-2-methylbenzene has a molecular weight of 344.58 g/mol, XLogP of 8.37, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptadec-1-enoxy-2-methylbenzene is sourced from PubChem (CID 156783905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).