alumane;2-prop-2-enyloxane

C8H17AlO — CID 173002887

IUPACalumane;2-prop-2-enyloxane
SMILESC=CCC1CCCCO1.[AlH3]
InChIInChI=1S/C8H14O.Al.3H/c1-2-5-8-6-3-4-7-9-8;;;;/h2,8H,1,3-7H2;;;;
InChIKeyWOXNBCCVMCLTED-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.95
Rot. Bonds2

About alumane;2-prop-2-enyloxane

alumane;2-prop-2-enyloxane (PubChem CID 173002887) has the molecular formula C8H17AlO and a molecular weight of 156.21 g/mol. Its IUPAC name is alumane;2-prop-2-enyloxane.

Molecular Properties

Compound Namealumane;2-prop-2-enyloxane
PubChem CID173002887
Molecular FormulaC8H17AlO
Molecular Weight156.21 g/mol
Exact Mass156.11
IUPAC Namealumane;2-prop-2-enyloxane
SMILESC=CCC1CCCCO1.[AlH3]
InChIInChI=1S/C8H14O.Al.3H/c1-2-5-8-6-3-4-7-9-8;;;;/h2,8H,1,3-7H2;;;;
InChIKeyWOXNBCCVMCLTED-UHFFFAOYSA-N
XLogP0.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(Prop-2-en-1-yl)oxane
CID 10866337
(2R)-2-(Prop-2-en-1-yl)oxane
CID 71368402
2,6-Bis(1-fluoroprop-2-enyl)oxane
CID 70392083
2,6-Bis(3-fluoroprop-2-enyl)oxane
CID 70392086
(2S,6S)-2-pentyl-6-prop-2-enyloxane
CID 10512105
(2S,4R,6S)-4-methoxy-2-methyl-6-prop-2-enyloxane
CID 11105800
(2S,5S)-5-fluoro-2-prop-2-enyloxane
CID 101272087
(2R,5S)-5-fluoro-2-prop-2-enyloxane
CID 101272088
2-But-3-enyloxane
CID 12860233
1-Hepta-1,6-dien-4-yloxyoctane
CID 58151503
1-Hepta-1,6-dien-4-yloxyheptane
CID 88561850
2-Non-8-enyloxane
CID 89229144

Frequently Asked Questions

What is the IUPAC name of alumane;2-prop-2-enyloxane?
The IUPAC name of alumane;2-prop-2-enyloxane (CID 173002887) is alumane;2-prop-2-enyloxane.
What is the SMILES notation for alumane;2-prop-2-enyloxane?
The canonical SMILES for alumane;2-prop-2-enyloxane is C=CCC1CCCCO1.[AlH3].
What is the InChIKey of alumane;2-prop-2-enyloxane?
The InChIKey is WOXNBCCVMCLTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.Al.3H/c1-2-5-8-6-3-4-7-9-8;;;;/h2,8H,1,3-7H2;;;;.
What are the key properties of alumane;2-prop-2-enyloxane?
alumane;2-prop-2-enyloxane has a molecular weight of 156.21 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2-prop-2-enyloxane is sourced from PubChem (CID 173002887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).