2-methylidene-6-(oxan-2-yloxy)hexanal

C12H20O3 — CID 13276058

IUPAC2-methylidene-6-(oxan-2-yloxy)hexanal
SMILESC=C(C=O)CCCCOC1CCCCO1
InChIInChI=1S/C12H20O3/c1-11(10-13)6-2-4-8-14-12-7-3-5-9-15-12/h10,12H,1-9H2
InChIKeyMHOPEIXZFARIIU-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.45
Rot. Bonds7

About 2-methylidene-6-(oxan-2-yloxy)hexanal

2-methylidene-6-(oxan-2-yloxy)hexanal (PubChem CID 13276058) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-methylidene-6-(oxan-2-yloxy)hexanal.

Molecular Properties

Compound Name2-methylidene-6-(oxan-2-yloxy)hexanal
PubChem CID13276058
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-methylidene-6-(oxan-2-yloxy)hexanal
SMILESC=C(C=O)CCCCOC1CCCCO1
InChIInChI=1S/C12H20O3/c1-11(10-13)6-2-4-8-14-12-7-3-5-9-15-12/h10,12H,1-9H2
InChIKeyMHOPEIXZFARIIU-UHFFFAOYSA-N
XLogP2.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Oxan-2-yl 5-methylhex-5-enoate
CID 23554131
4-(1,3-Dioxan-2-yl)-2-methylidenebutanal
CID 16658543
2-Methylidene-5-(oxan-2-yloxy)pentanal
CID 121221628
2-Methylidene-4-(oxan-2-yloxy)butanal
CID 165903044

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-6-(oxan-2-yloxy)hexanal?
The IUPAC name of 2-methylidene-6-(oxan-2-yloxy)hexanal (CID 13276058) is 2-methylidene-6-(oxan-2-yloxy)hexanal.
What is the SMILES notation for 2-methylidene-6-(oxan-2-yloxy)hexanal?
The canonical SMILES for 2-methylidene-6-(oxan-2-yloxy)hexanal is C=C(C=O)CCCCOC1CCCCO1.
What is the InChIKey of 2-methylidene-6-(oxan-2-yloxy)hexanal?
The InChIKey is MHOPEIXZFARIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-11(10-13)6-2-4-8-14-12-7-3-5-9-15-12/h10,12H,1-9H2.
What are the key properties of 2-methylidene-6-(oxan-2-yloxy)hexanal?
2-methylidene-6-(oxan-2-yloxy)hexanal has a molecular weight of 212.29 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-6-(oxan-2-yloxy)hexanal is sourced from PubChem (CID 13276058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).