4-decyl-2-methylidene-1,3-dioxole

C14H24O2 — CID 172558732

IUPAC4-decyl-2-methylidene-1,3-dioxole
SMILESC=C1OC=C(CCCCCCCCCC)O1
InChIInChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-14-12-15-13(2)16-14/h12H,2-11H2,1H3
InChIKeyZTIKRWVDKMKCCY-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.88
Rot. Bonds9

About 4-decyl-2-methylidene-1,3-dioxole

4-decyl-2-methylidene-1,3-dioxole (PubChem CID 172558732) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 4-decyl-2-methylidene-1,3-dioxole.

Molecular Properties

Compound Name4-decyl-2-methylidene-1,3-dioxole
PubChem CID172558732
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name4-decyl-2-methylidene-1,3-dioxole
SMILESC=C1OC=C(CCCCCCCCCC)O1
InChIInChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-14-12-15-13(2)16-14/h12H,2-11H2,1H3
InChIKeyZTIKRWVDKMKCCY-UHFFFAOYSA-N
XLogP4.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-decyl-2-methylidene-1,3-dioxole?
The IUPAC name of 4-decyl-2-methylidene-1,3-dioxole (CID 172558732) is 4-decyl-2-methylidene-1,3-dioxole.
What is the SMILES notation for 4-decyl-2-methylidene-1,3-dioxole?
The canonical SMILES for 4-decyl-2-methylidene-1,3-dioxole is C=C1OC=C(CCCCCCCCCC)O1.
What is the InChIKey of 4-decyl-2-methylidene-1,3-dioxole?
The InChIKey is ZTIKRWVDKMKCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-14-12-15-13(2)16-14/h12H,2-11H2,1H3.
What are the key properties of 4-decyl-2-methylidene-1,3-dioxole?
4-decyl-2-methylidene-1,3-dioxole has a molecular weight of 224.34 g/mol, XLogP of 4.88, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decyl-2-methylidene-1,3-dioxole is sourced from PubChem (CID 172558732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).