2-(3-methoxypropyl)cyclopenta-1,3-diene

C9H14O — CID 86016167

IUPAC2-(3-methoxypropyl)cyclopenta-1,3-diene
SMILESCOCCCC1=CCC=C1
InChIInChI=1S/C9H14O/c1-10-8-4-7-9-5-2-3-6-9/h2,5-6H,3-4,7-8H2,1H3
InChIKeyVRUDKUZMFIVJQN-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.30
Rot. Bonds4

About 2-(3-methoxypropyl)cyclopenta-1,3-diene

2-(3-methoxypropyl)cyclopenta-1,3-diene (PubChem CID 86016167) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(3-methoxypropyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name2-(3-methoxypropyl)cyclopenta-1,3-diene
PubChem CID86016167
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-(3-methoxypropyl)cyclopenta-1,3-diene
SMILESCOCCCC1=CCC=C1
InChIInChI=1S/C9H14O/c1-10-8-4-7-9-5-2-3-6-9/h2,5-6H,3-4,7-8H2,1H3
InChIKeyVRUDKUZMFIVJQN-UHFFFAOYSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)cyclopenta-1,3-diene?
The IUPAC name of 2-(3-methoxypropyl)cyclopenta-1,3-diene (CID 86016167) is 2-(3-methoxypropyl)cyclopenta-1,3-diene.
What is the SMILES notation for 2-(3-methoxypropyl)cyclopenta-1,3-diene?
The canonical SMILES for 2-(3-methoxypropyl)cyclopenta-1,3-diene is COCCCC1=CCC=C1.
What is the InChIKey of 2-(3-methoxypropyl)cyclopenta-1,3-diene?
The InChIKey is VRUDKUZMFIVJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-10-8-4-7-9-5-2-3-6-9/h2,5-6H,3-4,7-8H2,1H3.
What are the key properties of 2-(3-methoxypropyl)cyclopenta-1,3-diene?
2-(3-methoxypropyl)cyclopenta-1,3-diene has a molecular weight of 138.21 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)cyclopenta-1,3-diene is sourced from PubChem (CID 86016167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).