7-(trioxidanyl)hept-1-ene

C7H14O3 — CID 90829366

IUPAC7-(trioxidanyl)hept-1-ene
SMILESC=CCCCCCOOO
InChIInChI=1S/C7H14O3/c1-2-3-4-5-6-7-9-10-8/h2,8H,1,3-7H2
InChIKeyUFGAIIXCWRTWDK-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.15
Rot. Bonds7

About 7-(trioxidanyl)hept-1-ene

7-(trioxidanyl)hept-1-ene (PubChem CID 90829366) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 7-(trioxidanyl)hept-1-ene.

Molecular Properties

Compound Name7-(trioxidanyl)hept-1-ene
PubChem CID90829366
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name7-(trioxidanyl)hept-1-ene
SMILESC=CCCCCCOOO
InChIInChI=1S/C7H14O3/c1-2-3-4-5-6-7-9-10-8/h2,8H,1,3-7H2
InChIKeyUFGAIIXCWRTWDK-UHFFFAOYSA-N
XLogP2.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

12-dodec-11-enoxydodec-1-ene
CID 87325659
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
non-8-enylperoxy formate
CID 140843638
8-(trioxidanyl)octan-1-ol
CID 87737807
11-[2-(2-ethoxyethoxy)ethoxy]undec-1-ene
CID 142718592
11-(2-ethoxyethoxy)undec-1-ene
CID 142718569
bis(dec-9-enyl) (Z)-but-2-enedioate
CID 86753272
20-(trioxidanyl)icosa-2,4,6-trienoic acid
CID 54073046
2-[2-[2-(2-undec-10-enoxyethoxy)ethoxy]ethoxy]acetic acid
CID 45275900
1-(trioxidanyl)tetradecane
CID 90111770
hex-5-enoxysilane
CID 123933799

Frequently Asked Questions

What is the IUPAC name of 7-(trioxidanyl)hept-1-ene?
The IUPAC name of 7-(trioxidanyl)hept-1-ene (CID 90829366) is 7-(trioxidanyl)hept-1-ene.
What is the SMILES notation for 7-(trioxidanyl)hept-1-ene?
The canonical SMILES for 7-(trioxidanyl)hept-1-ene is C=CCCCCCOOO.
What is the InChIKey of 7-(trioxidanyl)hept-1-ene?
The InChIKey is UFGAIIXCWRTWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-2-3-4-5-6-7-9-10-8/h2,8H,1,3-7H2.
What are the key properties of 7-(trioxidanyl)hept-1-ene?
7-(trioxidanyl)hept-1-ene has a molecular weight of 146.19 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trioxidanyl)hept-1-ene is sourced from PubChem (CID 90829366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).