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

C10H16O — CID 14290347

IUPAC2-(3-methoxypropyl)cyclohexa-1,3-diene
SMILESCOCCCC1=CCCC=C1
InChIInChI=1S/C10H16O/c1-11-9-5-8-10-6-3-2-4-7-10/h3,6-7H,2,4-5,8-9H2,1H3
InChIKeyQVOBVOFNQYHFOC-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.69
Rot. Bonds4

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

2-(3-methoxypropyl)cyclohexa-1,3-diene (PubChem CID 14290347) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(3-methoxypropyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(3-methoxypropyl)cyclohexa-1,3-diene
PubChem CID14290347
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-(3-methoxypropyl)cyclohexa-1,3-diene
SMILESCOCCCC1=CCCC=C1
InChIInChI=1S/C10H16O/c1-11-9-5-8-10-6-3-2-4-7-10/h3,6-7H,2,4-5,8-9H2,1H3
InChIKeyQVOBVOFNQYHFOC-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.69
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)cyclohexa-1,3-diene?
The IUPAC name of 2-(3-methoxypropyl)cyclohexa-1,3-diene (CID 14290347) is 2-(3-methoxypropyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-(3-methoxypropyl)cyclohexa-1,3-diene?
The canonical SMILES for 2-(3-methoxypropyl)cyclohexa-1,3-diene is COCCCC1=CCCC=C1.
What is the InChIKey of 2-(3-methoxypropyl)cyclohexa-1,3-diene?
The InChIKey is QVOBVOFNQYHFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-11-9-5-8-10-6-3-2-4-7-10/h3,6-7H,2,4-5,8-9H2,1H3.
What are the key properties of 2-(3-methoxypropyl)cyclohexa-1,3-diene?
2-(3-methoxypropyl)cyclohexa-1,3-diene has a molecular weight of 152.24 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)cyclohexa-1,3-diene is sourced from PubChem (CID 14290347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).