2-propan-2-yloxyprop-2-enal

C6H10O2 — CID 143387365

IUPAC2-propan-2-yloxyprop-2-enal
SMILESC=C(C=O)OC(C)C
InChIInChI=1S/C6H10O2/c1-5(2)8-6(3)4-7/h4-5H,3H2,1-2H3
InChIKeyGLHKZMVCKLRZAB-UHFFFAOYSA-N
MW114.14 g/mol
LogP1.12
Rot. Bonds3

About 2-propan-2-yloxyprop-2-enal

2-propan-2-yloxyprop-2-enal (PubChem CID 143387365) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-propan-2-yloxyprop-2-enal.

Molecular Properties

Compound Name2-propan-2-yloxyprop-2-enal
PubChem CID143387365
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-propan-2-yloxyprop-2-enal
SMILESC=C(C=O)OC(C)C
InChIInChI=1S/C6H10O2/c1-5(2)8-6(3)4-7/h4-5H,3H2,1-2H3
InChIKeyGLHKZMVCKLRZAB-UHFFFAOYSA-N
XLogP1.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-oxoprop-1-en-2-yl propan-2-yl carbonate
CID 10607027
(E)-4-(dimethylamino)-2-methylidene-4-propan-2-yloxybut-3-enal
CID 166788177
propan-2-yl 2-methylprop-2-enoate
CID 146421311
(3Z,5Z)-5-ethyl-2-propan-2-yloxyhepta-1,3,5-triene
CID 88543617
propan-2-yl 2-silylprop-2-enoate
CID 173200883
propan-2-yl carbonochloridate
CID 7917
(Z)-2-(3-oxoprop-1-en-2-yloxy)but-2-enal
CID 145073947
(2E)-2-[(E)-2-propan-2-yloxyprop-1-enyl]penta-2,4-dienal
CID 142866167
2,4-di(propan-2-yloxy)penta-1,4-diene
CID 87755689
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
[(2R,3S,4S,5R)-3,4,5-trihydroxy-1-oxohexan-2-yl] 2-methylprop-2-enoate
CID 87644418
carbonic acid;ethene;propan-2-yl hydrogen carbonate
CID 175300658

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyprop-2-enal?
The IUPAC name of 2-propan-2-yloxyprop-2-enal (CID 143387365) is 2-propan-2-yloxyprop-2-enal.
What is the SMILES notation for 2-propan-2-yloxyprop-2-enal?
The canonical SMILES for 2-propan-2-yloxyprop-2-enal is C=C(C=O)OC(C)C.
What is the InChIKey of 2-propan-2-yloxyprop-2-enal?
The InChIKey is GLHKZMVCKLRZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-5(2)8-6(3)4-7/h4-5H,3H2,1-2H3.
What are the key properties of 2-propan-2-yloxyprop-2-enal?
2-propan-2-yloxyprop-2-enal has a molecular weight of 114.14 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyprop-2-enal is sourced from PubChem (CID 143387365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).