2-methylidene-4-undecyloxetane

C15H28O — CID 102089329

IUPAC2-methylidene-4-undecyloxetane
SMILESC=C1CC(CCCCCCCCCCC)O1
InChIInChI=1S/C15H28O/c1-3-4-5-6-7-8-9-10-11-12-15-13-14(2)16-15/h15H,2-13H2,1H3
InChIKeyNFTUSTHCWYLZSR-UHFFFAOYSA-N
MW224.39 g/mol
LogP5.21
Rot. Bonds10

About 2-methylidene-4-undecyloxetane

2-methylidene-4-undecyloxetane (PubChem CID 102089329) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-methylidene-4-undecyloxetane.

Molecular Properties

Compound Name2-methylidene-4-undecyloxetane
PubChem CID102089329
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2-methylidene-4-undecyloxetane
SMILESC=C1CC(CCCCCCCCCCC)O1
InChIInChI=1S/C15H28O/c1-3-4-5-6-7-8-9-10-11-12-15-13-14(2)16-15/h15H,2-13H2,1H3
InChIKeyNFTUSTHCWYLZSR-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.39
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy dec-1-ene
CID 11829889
1-Undecene, 4-methoxy-
CID 10261807
4-Methoxy-1-dodecene
CID 10420283
2-Ethoxynon-1-ene
CID 12385679
Lauryl hexaoxyethylene
CID 21407036
2-Methylidene-oxacyclotridecane
CID 85608247
n-Octyl-pentaoxyethylene
CID 129682506
n-Dodecyl nonaoxyethylene
CID 129694971
n-Decyl-pentaoxyethylene
CID 129694975
(4S)-4-methoxyundec-1-ene
CID 53329273
Dodecyl octaoxyethylene
CID 22145312
2-(2-Methylideneoctyl)oxetane
CID 86078831

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-undecyloxetane?
The IUPAC name of 2-methylidene-4-undecyloxetane (CID 102089329) is 2-methylidene-4-undecyloxetane.
What is the SMILES notation for 2-methylidene-4-undecyloxetane?
The canonical SMILES for 2-methylidene-4-undecyloxetane is C=C1CC(CCCCCCCCCCC)O1.
What is the InChIKey of 2-methylidene-4-undecyloxetane?
The InChIKey is NFTUSTHCWYLZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-3-4-5-6-7-8-9-10-11-12-15-13-14(2)16-15/h15H,2-13H2,1H3.
What are the key properties of 2-methylidene-4-undecyloxetane?
2-methylidene-4-undecyloxetane has a molecular weight of 224.39 g/mol, XLogP of 5.21, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-undecyloxetane is sourced from PubChem (CID 102089329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).