4-(2-methylprop-2-enyl)oxane-4-carbaldehyde

C10H16O2 — CID 130654952

IUPAC4-(2-methylprop-2-enyl)oxane-4-carbaldehyde
SMILESC=C(C)CC1(C=O)CCOCC1
InChIInChI=1S/C10H16O2/c1-9(2)7-10(8-11)3-5-12-6-4-10/h8H,1,3-7H2,2H3
InChIKeyULKYGMFCRBLQPL-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.95
Rot. Bonds3

About 4-(2-methylprop-2-enyl)oxane-4-carbaldehyde

4-(2-methylprop-2-enyl)oxane-4-carbaldehyde (PubChem CID 130654952) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-(2-methylprop-2-enyl)oxane-4-carbaldehyde.

Molecular Properties

Compound Name4-(2-methylprop-2-enyl)oxane-4-carbaldehyde
PubChem CID130654952
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-(2-methylprop-2-enyl)oxane-4-carbaldehyde
SMILESC=C(C)CC1(C=O)CCOCC1
InChIInChI=1S/C10H16O2/c1-9(2)7-10(8-11)3-5-12-6-4-10/h8H,1,3-7H2,2H3
InChIKeyULKYGMFCRBLQPL-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-2-enyl)oxane-4-carbaldehyde?
The IUPAC name of 4-(2-methylprop-2-enyl)oxane-4-carbaldehyde (CID 130654952) is 4-(2-methylprop-2-enyl)oxane-4-carbaldehyde.
What is the SMILES notation for 4-(2-methylprop-2-enyl)oxane-4-carbaldehyde?
The canonical SMILES for 4-(2-methylprop-2-enyl)oxane-4-carbaldehyde is C=C(C)CC1(C=O)CCOCC1.
What is the InChIKey of 4-(2-methylprop-2-enyl)oxane-4-carbaldehyde?
The InChIKey is ULKYGMFCRBLQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(2)7-10(8-11)3-5-12-6-4-10/h8H,1,3-7H2,2H3.
What are the key properties of 4-(2-methylprop-2-enyl)oxane-4-carbaldehyde?
4-(2-methylprop-2-enyl)oxane-4-carbaldehyde has a molecular weight of 168.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-2-enyl)oxane-4-carbaldehyde is sourced from PubChem (CID 130654952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).