[1-(2-methoxyethenyl)cyclopropyl]cyclooctatetraene

C14H16O — CID 123540698

IUPAC[1-(2-methoxyethenyl)cyclopropyl]cyclooctatetraene
SMILESCOC=CC1(C2=CC=CC=CC=C2)CC1
InChIInChI=1S/C14H16O/c1-15-12-11-14(9-10-14)13-7-5-3-2-4-6-8-13/h2-8,11-12H,9-10H2,1H3
InChIKeyPJWFEPLNRHAAEA-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.54
Rot. Bonds3

About [1-(2-methoxyethenyl)cyclopropyl]cyclooctatetraene

[1-(2-methoxyethenyl)cyclopropyl]cyclooctatetraene (PubChem CID 123540698) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is [1-(2-methoxyethenyl)cyclopropyl]cyclooctatetraene.

Molecular Properties

Compound Name[1-(2-methoxyethenyl)cyclopropyl]cyclooctatetraene
PubChem CID123540698
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name[1-(2-methoxyethenyl)cyclopropyl]cyclooctatetraene
SMILESCOC=CC1(C2=CC=CC=CC=C2)CC1
InChIInChI=1S/C14H16O/c1-15-12-11-14(9-10-14)13-7-5-3-2-4-6-8-13/h2-8,11-12H,9-10H2,1H3
InChIKeyPJWFEPLNRHAAEA-UHFFFAOYSA-N
XLogP3.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E,3Z)-1-methoxy-8,8-dimethyl-5-methylidenenona-1,3-diene
CID 117849759
1-Methoxypenta-1,3-dien-3-ylcyclopropane
CID 123321974
5-(2-Methoxyethenyl)-1,3,5-trimethylcyclohexa-1,3-diene
CID 140156858
1-Methoxy-2,6-dimethylocta-1,3-diene
CID 150162074
(5Z,7Z)-3,3-dimethyl-2,4-dihydrooxocine;ethane
CID 163709436
2-[1-(Ethoxymethyl)cyclopropyl]cyclohexa-1,3-diene
CID 170602007
(E,5E)-5-(methoxymethylidene)-6,6-dimethylhept-3-ene
CID 171536377
Ethane;2-[1-(methoxymethyl)cyclopropyl]cyclohexa-1,3-diene
CID 176926689
2-[1-(Methoxymethyl)cyclopropyl]cyclohexa-1,3-diene
CID 176926690
CID 144355859
CID 144355859

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethenyl)cyclopropyl]cyclooctatetraene?
The IUPAC name of [1-(2-methoxyethenyl)cyclopropyl]cyclooctatetraene (CID 123540698) is [1-(2-methoxyethenyl)cyclopropyl]cyclooctatetraene.
What is the SMILES notation for [1-(2-methoxyethenyl)cyclopropyl]cyclooctatetraene?
The canonical SMILES for [1-(2-methoxyethenyl)cyclopropyl]cyclooctatetraene is COC=CC1(C2=CC=CC=CC=C2)CC1.
What is the InChIKey of [1-(2-methoxyethenyl)cyclopropyl]cyclooctatetraene?
The InChIKey is PJWFEPLNRHAAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-15-12-11-14(9-10-14)13-7-5-3-2-4-6-8-13/h2-8,11-12H,9-10H2,1H3.
What are the key properties of [1-(2-methoxyethenyl)cyclopropyl]cyclooctatetraene?
[1-(2-methoxyethenyl)cyclopropyl]cyclooctatetraene has a molecular weight of 200.28 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethenyl)cyclopropyl]cyclooctatetraene is sourced from PubChem (CID 123540698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).