2-methylidene-5-(oxan-2-yloxy)pentanal

C11H18O3 — CID 121221628

IUPAC2-methylidene-5-(oxan-2-yloxy)pentanal
SMILESC=C(C=O)CCCOC1CCCCO1
InChIInChI=1S/C11H18O3/c1-10(9-12)5-4-8-14-11-6-2-3-7-13-11/h9,11H,1-8H2
InChIKeyGYWSCJMRPFJNGY-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.06
Rot. Bonds6

About 2-methylidene-5-(oxan-2-yloxy)pentanal

2-methylidene-5-(oxan-2-yloxy)pentanal (PubChem CID 121221628) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-methylidene-5-(oxan-2-yloxy)pentanal.

Molecular Properties

Compound Name2-methylidene-5-(oxan-2-yloxy)pentanal
PubChem CID121221628
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-methylidene-5-(oxan-2-yloxy)pentanal
SMILESC=C(C=O)CCCOC1CCCCO1
InChIInChI=1S/C11H18O3/c1-10(9-12)5-4-8-14-11-6-2-3-7-13-11/h9,11H,1-8H2
InChIKeyGYWSCJMRPFJNGY-UHFFFAOYSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.06
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

2-Methylidene-6-(oxan-2-yloxy)hexanal
CID 13276058
5,5-Diethoxy-2-methylidenepentanal
CID 14904312
4-(1,3-Dioxan-2-yl)-2-methylidenebutanal
CID 16658543
2-Methylidene-4-(oxan-2-yloxy)butanal
CID 165903044

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-5-(oxan-2-yloxy)pentanal?
The IUPAC name of 2-methylidene-5-(oxan-2-yloxy)pentanal (CID 121221628) is 2-methylidene-5-(oxan-2-yloxy)pentanal.
What is the SMILES notation for 2-methylidene-5-(oxan-2-yloxy)pentanal?
The canonical SMILES for 2-methylidene-5-(oxan-2-yloxy)pentanal is C=C(C=O)CCCOC1CCCCO1.
What is the InChIKey of 2-methylidene-5-(oxan-2-yloxy)pentanal?
The InChIKey is GYWSCJMRPFJNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-10(9-12)5-4-8-14-11-6-2-3-7-13-11/h9,11H,1-8H2.
What are the key properties of 2-methylidene-5-(oxan-2-yloxy)pentanal?
2-methylidene-5-(oxan-2-yloxy)pentanal has a molecular weight of 198.26 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5-(oxan-2-yloxy)pentanal is sourced from PubChem (CID 121221628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).