9-pent-1-enylanthracene

C19H18 — CID 173045692

IUPAC9-pent-1-enylanthracene
SMILESCCCC=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H18/c1-2-3-4-13-19-17-11-7-5-9-15(17)14-16-10-6-8-12-18(16)19/h4-14H,2-3H2,1H3
InChIKeyVGSFGUWYHRPBQE-UHFFFAOYSA-N
MW246.35 g/mol
LogP5.81
Rot. Bonds3

About 9-pent-1-enylanthracene

9-pent-1-enylanthracene (PubChem CID 173045692) has the molecular formula C19H18 and a molecular weight of 246.35 g/mol. Its IUPAC name is 9-pent-1-enylanthracene.

Molecular Properties

Compound Name9-pent-1-enylanthracene
PubChem CID173045692
Molecular FormulaC19H18
Molecular Weight246.35 g/mol
Exact Mass246.14
IUPAC Name9-pent-1-enylanthracene
SMILESCCCC=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H18/c1-2-3-4-13-19-17-11-7-5-9-15(17)14-16-10-6-8-12-18(16)19/h4-14H,2-3H2,1H3
InChIKeyVGSFGUWYHRPBQE-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.35
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(4-bromobut-1-enyl)anthracene
CID 170498426
1-[(E)-pent-1-enyl]anthracene
CID 173041440
9-(3-bromoprop-1-enyl)anthracene
CID 169476418
3-anthracen-9-ylprop-2-en-1-amine
CID 169464466
9-[(E)-3-naphthalen-1-ylprop-1-enyl]anthracene
CID 10569477
4-anthracen-9-ylbut-3-enamide
CID 170798903
S-(3-anthracen-9-ylprop-2-enyl) ethanethioate
CID 169458206
2-ethyl-1-[(E)-hex-1-enyl]naphthalene
CID 166460669
2-[(E)-pent-1-enyl]-1-benzothiophene
CID 56648426
9-(2-naphthalen-1-ylethenyl)anthracene
CID 630261
9-[(E)-2-naphthalen-1-ylethenyl]anthracene
CID 139205427
1-(4-bromobut-1-enyl)-2-methylnaphthalene
CID 170498133

Frequently Asked Questions

What is the IUPAC name of 9-pent-1-enylanthracene?
The IUPAC name of 9-pent-1-enylanthracene (CID 173045692) is 9-pent-1-enylanthracene.
What is the SMILES notation for 9-pent-1-enylanthracene?
The canonical SMILES for 9-pent-1-enylanthracene is CCCC=Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of 9-pent-1-enylanthracene?
The InChIKey is VGSFGUWYHRPBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18/c1-2-3-4-13-19-17-11-7-5-9-15(17)14-16-10-6-8-12-18(16)19/h4-14H,2-3H2,1H3.
What are the key properties of 9-pent-1-enylanthracene?
9-pent-1-enylanthracene has a molecular weight of 246.35 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pent-1-enylanthracene is sourced from PubChem (CID 173045692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).