2-[(E)-non-7-enoxy]cyclohexa-1,3-diene

C15H24O — CID 142802463

IUPAC2-[(E)-non-7-enoxy]cyclohexa-1,3-diene
SMILESC/C=C/CCCCCCOC1=CCCC=C1
InChIInChI=1S/C15H24O/c1-2-3-4-5-6-7-11-14-16-15-12-9-8-10-13-15/h2-3,9,12-13H,4-8,10-11,14H2,1H3/b3-2+
InChIKeyBGPCKYQAKFFCRO-NSCUHMNNSA-N
MW220.36 g/mol
LogP4.76
Rot. Bonds8

About 2-[(E)-non-7-enoxy]cyclohexa-1,3-diene

2-[(E)-non-7-enoxy]cyclohexa-1,3-diene (PubChem CID 142802463) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[(E)-non-7-enoxy]cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-[(E)-non-7-enoxy]cyclohexa-1,3-diene
PubChem CID142802463
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-[(E)-non-7-enoxy]cyclohexa-1,3-diene
SMILESC/C=C/CCCCCCOC1=CCCC=C1
InChIInChI=1S/C15H24O/c1-2-3-4-5-6-7-11-14-16-15-12-9-8-10-13-15/h2-3,9,12-13H,4-8,10-11,14H2,1H3/b3-2+
InChIKeyBGPCKYQAKFFCRO-NSCUHMNNSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Prop-2-enoxycyclohexene
CID 12705671
1-(1-Ethoxy-vinyl)-cyclohexene
CID 14296312
1-(1-Butoxyethenyl)cyclohexene
CID 11019469
1-[(1E)-1-ethoxybuta-1,3-dienyl]cyclohexene
CID 11229119
2-methyl-6-[(E)-prop-1-enyl]oxane
CID 14447586
Epoxycyclododecadiene
CID 22564348
2-heptyl-3,4-dimethyl-2H-pyran
CID 67283434
3-methyl-2-octyl-2H-pyran
CID 85787136
1-(3-Methylbut-2-enoxy)cyclohexene
CID 86158325
Hexopyrane
CID 129692864
Demethylheptylpyran
CID 129719097
5,6,7,8-Tetrahydro benzopyran
CID 155801680

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-non-7-enoxy]cyclohexa-1,3-diene?
The IUPAC name of 2-[(E)-non-7-enoxy]cyclohexa-1,3-diene (CID 142802463) is 2-[(E)-non-7-enoxy]cyclohexa-1,3-diene.
What is the SMILES notation for 2-[(E)-non-7-enoxy]cyclohexa-1,3-diene?
The canonical SMILES for 2-[(E)-non-7-enoxy]cyclohexa-1,3-diene is C/C=C/CCCCCCOC1=CCCC=C1.
What is the InChIKey of 2-[(E)-non-7-enoxy]cyclohexa-1,3-diene?
The InChIKey is BGPCKYQAKFFCRO-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H24O/c1-2-3-4-5-6-7-11-14-16-15-12-9-8-10-13-15/h2-3,9,12-13H,4-8,10-11,14H2,1H3/b3-2+.
What are the key properties of 2-[(E)-non-7-enoxy]cyclohexa-1,3-diene?
2-[(E)-non-7-enoxy]cyclohexa-1,3-diene has a molecular weight of 220.36 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-non-7-enoxy]cyclohexa-1,3-diene is sourced from PubChem (CID 142802463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).