cyclopenta-1,3-diene;1-methoxypropane

C9H16O — CID 139240241

IUPACcyclopenta-1,3-diene;1-methoxypropane
SMILESC1=CCC=C1.CCCOC
InChIInChI=1S/C5H6.C4H10O/c1-2-4-5-3-1;1-3-4-5-2/h1-4H,5H2;3-4H2,1-2H3
InChIKeyITOOBHNGIKIKOQ-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.55
Rot. Bonds2

About cyclopenta-1,3-diene;1-methoxypropane

cyclopenta-1,3-diene;1-methoxypropane (PubChem CID 139240241) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is cyclopenta-1,3-diene;1-methoxypropane.

Molecular Properties

Compound Namecyclopenta-1,3-diene;1-methoxypropane
PubChem CID139240241
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Namecyclopenta-1,3-diene;1-methoxypropane
SMILESC1=CCC=C1.CCCOC
InChIInChI=1S/C5H6.C4H10O/c1-2-4-5-3-1;1-3-4-5-2/h1-4H,5H2;3-4H2,1-2H3
InChIKeyITOOBHNGIKIKOQ-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1Z,3Z,5Z,7Z,9Z)-1-propoxydodeca-1,3,5,7,9-pentaene
CID 6440369
3-Ethenyl-6-methoxyhexa-1,3-diene
CID 134835479
5-(Methoxymethyl)cyclopenta-1,3-diene
CID 12547288
1-Methoxyoctadien
CID 21873134
Octadienyl ethyl ether
CID 53818685
Methoxyoctadiene
CID 53887681
Ethoxy hexadiene
CID 91476540
(all-E)-1-Methoxy-1,3,5,7,9-dodecapentaene
CID 92033185
Methyl 4,6-decadienyl ether
CID 5364203
(1E,3E)-1-ethoxyhexa-1,3-diene
CID 101065501
CID 11806990
CID 11806990
Biscyclopentadien-ylgallium ethoxide
CID 129677792

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;1-methoxypropane?
The IUPAC name of cyclopenta-1,3-diene;1-methoxypropane (CID 139240241) is cyclopenta-1,3-diene;1-methoxypropane.
What is the SMILES notation for cyclopenta-1,3-diene;1-methoxypropane?
The canonical SMILES for cyclopenta-1,3-diene;1-methoxypropane is C1=CCC=C1.CCCOC.
What is the InChIKey of cyclopenta-1,3-diene;1-methoxypropane?
The InChIKey is ITOOBHNGIKIKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6.C4H10O/c1-2-4-5-3-1;1-3-4-5-2/h1-4H,5H2;3-4H2,1-2H3.
What are the key properties of cyclopenta-1,3-diene;1-methoxypropane?
cyclopenta-1,3-diene;1-methoxypropane has a molecular weight of 140.23 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;1-methoxypropane is sourced from PubChem (CID 139240241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).