2,2-dimethyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane

C14H26O — CID 59476180

IUPAC2,2-dimethyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane
SMILESC=C(C)C1CCC(C)(C)OC1CC(C)C
InChIInChI=1S/C14H26O/c1-10(2)9-13-12(11(3)4)7-8-14(5,6)15-13/h10,12-13H,3,7-9H2,1-2,4-6H3
InChIKeyBQXFBSKWRUVQTO-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.18
Rot. Bonds3

About 2,2-dimethyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane

2,2-dimethyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane (PubChem CID 59476180) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane.

Molecular Properties

Compound Name2,2-dimethyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane
PubChem CID59476180
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2,2-dimethyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane
SMILESC=C(C)C1CCC(C)(C)OC1CC(C)C
InChIInChI=1S/C14H26O/c1-10(2)9-13-12(11(3)4)7-8-14(5,6)15-13/h10,12-13H,3,7-9H2,1-2,4-6H3
InChIKeyBQXFBSKWRUVQTO-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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 2,2-dimethyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane?
The IUPAC name of 2,2-dimethyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane (CID 59476180) is 2,2-dimethyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane.
What is the SMILES notation for 2,2-dimethyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane?
The canonical SMILES for 2,2-dimethyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane is C=C(C)C1CCC(C)(C)OC1CC(C)C.
What is the InChIKey of 2,2-dimethyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane?
The InChIKey is BQXFBSKWRUVQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-10(2)9-13-12(11(3)4)7-8-14(5,6)15-13/h10,12-13H,3,7-9H2,1-2,4-6H3.
What are the key properties of 2,2-dimethyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane?
2,2-dimethyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane has a molecular weight of 210.36 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane is sourced from PubChem (CID 59476180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).