1-methoxypenta-1,3-dien-3-ylcyclopropane

C9H14O — CID 123321974

IUPAC1-methoxypenta-1,3-dien-3-ylcyclopropane
SMILESCC=C(C=COC)C1CC1
InChIInChI=1S/C9H14O/c1-3-8(6-7-10-2)9-4-5-9/h3,6-7,9H,4-5H2,1-2H3
InChIKeyNOZBPTHTEPZPIZ-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.50
Rot. Bonds3

About 1-methoxypenta-1,3-dien-3-ylcyclopropane

1-methoxypenta-1,3-dien-3-ylcyclopropane (PubChem CID 123321974) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-methoxypenta-1,3-dien-3-ylcyclopropane.

Molecular Properties

Compound Name1-methoxypenta-1,3-dien-3-ylcyclopropane
PubChem CID123321974
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name1-methoxypenta-1,3-dien-3-ylcyclopropane
SMILESCC=C(C=COC)C1CC1
InChIInChI=1S/C9H14O/c1-3-8(6-7-10-2)9-4-5-9/h3,6-7,9H,4-5H2,1-2H3
InChIKeyNOZBPTHTEPZPIZ-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E)-1-methoxy-7-methyl-3-methylideneocta-1,6-diene
CID 15517012
1-Ethoxy-3,7-dimethylocta-1,6-diene
CID 149163078
(1E,3E)-1-methoxy-4,8-dimethylnona-1,3,7-triene
CID 13215975
1-Methoxy-3,7-dimethylocta-1,6-diene
CID 53995257
4-Methylidene-2,3-di(propan-2-yl)pyran
CID 60125647
5-[(Z)-2-methoxyethenyl]cyclohexa-1,3-diene
CID 68202297
1-Methoxy-2,6,10-trimethylundeca-1,3,5,9-tetraene
CID 87405298
(3Z,5E)-6-methoxy-3-propan-2-ylhepta-1,3,5-triene
CID 89049773
(3Z,5E)-5-(methoxymethylidene)hepta-1,3-diene
CID 89277566
(1E,3Z,5Z)-4-ethyl-1-methoxyhepta-1,3,5-triene
CID 89277621
2-[(E)-2-methoxyethenyl]cyclohexa-1,3-diene
CID 89357310
(1E,3E,5E)-1-methoxy-2,6,10-trimethylundeca-1,3,5,9-tetraene
CID 89410726

Frequently Asked Questions

What is the IUPAC name of 1-methoxypenta-1,3-dien-3-ylcyclopropane?
The IUPAC name of 1-methoxypenta-1,3-dien-3-ylcyclopropane (CID 123321974) is 1-methoxypenta-1,3-dien-3-ylcyclopropane.
What is the SMILES notation for 1-methoxypenta-1,3-dien-3-ylcyclopropane?
The canonical SMILES for 1-methoxypenta-1,3-dien-3-ylcyclopropane is CC=C(C=COC)C1CC1.
What is the InChIKey of 1-methoxypenta-1,3-dien-3-ylcyclopropane?
The InChIKey is NOZBPTHTEPZPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-8(6-7-10-2)9-4-5-9/h3,6-7,9H,4-5H2,1-2H3.
What are the key properties of 1-methoxypenta-1,3-dien-3-ylcyclopropane?
1-methoxypenta-1,3-dien-3-ylcyclopropane has a molecular weight of 138.21 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypenta-1,3-dien-3-ylcyclopropane is sourced from PubChem (CID 123321974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).