4-methylidene-2,2-bis(2-methylpropyl)oxane

C14H26O — CID 164909397

IUPAC4-methylidene-2,2-bis(2-methylpropyl)oxane
SMILESC=C1CCOC(CC(C)C)(CC(C)C)C1
InChIInChI=1S/C14H26O/c1-11(2)8-14(9-12(3)4)10-13(5)6-7-15-14/h11-12H,5-10H2,1-4H3
InChIKeyJOJUDEJLUYOLSL-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.18
Rot. Bonds4

About 4-methylidene-2,2-bis(2-methylpropyl)oxane

4-methylidene-2,2-bis(2-methylpropyl)oxane (PubChem CID 164909397) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 4-methylidene-2,2-bis(2-methylpropyl)oxane.

Molecular Properties

Compound Name4-methylidene-2,2-bis(2-methylpropyl)oxane
PubChem CID164909397
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name4-methylidene-2,2-bis(2-methylpropyl)oxane
SMILESC=C1CCOC(CC(C)C)(CC(C)C)C1
InChIInChI=1S/C14H26O/c1-11(2)8-14(9-12(3)4)10-13(5)6-7-15-14/h11-12H,5-10H2,1-4H3
InChIKeyJOJUDEJLUYOLSL-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-2,2-bis(2-methylpropyl)oxane?
The IUPAC name of 4-methylidene-2,2-bis(2-methylpropyl)oxane (CID 164909397) is 4-methylidene-2,2-bis(2-methylpropyl)oxane.
What is the SMILES notation for 4-methylidene-2,2-bis(2-methylpropyl)oxane?
The canonical SMILES for 4-methylidene-2,2-bis(2-methylpropyl)oxane is C=C1CCOC(CC(C)C)(CC(C)C)C1.
What is the InChIKey of 4-methylidene-2,2-bis(2-methylpropyl)oxane?
The InChIKey is JOJUDEJLUYOLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-11(2)8-14(9-12(3)4)10-13(5)6-7-15-14/h11-12H,5-10H2,1-4H3.
What are the key properties of 4-methylidene-2,2-bis(2-methylpropyl)oxane?
4-methylidene-2,2-bis(2-methylpropyl)oxane has a molecular weight of 210.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-2,2-bis(2-methylpropyl)oxane is sourced from PubChem (CID 164909397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).