2-prop-2-enoxyoxane

C8H13O2- — CID 101206988

IUPAC2-prop-2-enoxyoxane
SMILES[H]/[C-]=C/COC1CCCCO1
InChIInChI=1S/C8H13O2/c1-2-6-9-8-5-3-4-7-10-8/h1-2,8H,3-7H2/q-1
InChIKeyNNDSYIWEKWZGCB-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.52
Rot. Bonds3

About 2-prop-2-enoxyoxane

2-prop-2-enoxyoxane (PubChem CID 101206988) has the molecular formula C8H13O2- and a molecular weight of 141.19 g/mol. Its IUPAC name is 2-prop-2-enoxyoxane.

Molecular Properties

Compound Name2-prop-2-enoxyoxane
PubChem CID101206988
Molecular FormulaC8H13O2-
Molecular Weight141.19 g/mol
Exact Mass141.09
IUPAC Name2-prop-2-enoxyoxane
SMILES[H]/[C-]=C/COC1CCCCO1
InChIInChI=1S/C8H13O2/c1-2-6-9-8-5-3-4-7-10-8/h1-2,8H,3-7H2/q-1
InChIKeyNNDSYIWEKWZGCB-UHFFFAOYSA-N
XLogP1.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Allyloxytetrahydropyran
CID 4532059
2-((2-Methyl-2-propenyl)oxy)tetrahydro-2H-pyran
CID 376761
2-[(E)-4-bromobut-2-enoxy]oxane
CID 10752203
2-[(E)-3-iodoprop-2-enoxy]oxane
CID 11832382
2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103519
(2R,3S)-3-iodo-2-prop-2-enoxyoxane
CID 15808097
tributyl-[(Z)-3-(oxan-2-yloxy)prop-1-enyl]stannane
CID 135008235
(2S)-2-prop-2-enoxyoxane
CID 7033617
2-[(E)-but-2-enoxy]oxane
CID 11788432
2-(Buta-2,3-dien-1-yloxy)tetrahydro-2H-pyran
CID 12778572
2-[(E)-prop-1-enoxy]oxane
CID 12835881
1,1-Bis(allyloxy)pentane
CID 3018524

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxyoxane?
The IUPAC name of 2-prop-2-enoxyoxane (CID 101206988) is 2-prop-2-enoxyoxane.
What is the SMILES notation for 2-prop-2-enoxyoxane?
The canonical SMILES for 2-prop-2-enoxyoxane is [H]/[C-]=C/COC1CCCCO1.
What is the InChIKey of 2-prop-2-enoxyoxane?
The InChIKey is NNDSYIWEKWZGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O2/c1-2-6-9-8-5-3-4-7-10-8/h1-2,8H,3-7H2/q-1.
What are the key properties of 2-prop-2-enoxyoxane?
2-prop-2-enoxyoxane has a molecular weight of 141.19 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxyoxane is sourced from PubChem (CID 101206988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).