2,6-dimethyl-3-prop-1-en-2-yloxane

C10H18O — CID 3833578

IUPAC2,6-dimethyl-3-prop-1-en-2-yloxane
SMILESC=C(C)C1CCC(C)OC1C
InChIInChI=1S/C10H18O/c1-7(2)10-6-5-8(3)11-9(10)4/h8-10H,1,5-6H2,2-4H3
InChIKeyBHXDBLCNBRCCCM-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds1

About 2,6-dimethyl-3-prop-1-en-2-yloxane

2,6-dimethyl-3-prop-1-en-2-yloxane (PubChem CID 3833578) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2,6-dimethyl-3-prop-1-en-2-yloxane.

Molecular Properties

Compound Name2,6-dimethyl-3-prop-1-en-2-yloxane
PubChem CID3833578
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2,6-dimethyl-3-prop-1-en-2-yloxane
SMILESC=C(C)C1CCC(C)OC1C
InChIInChI=1S/C10H18O/c1-7(2)10-6-5-8(3)11-9(10)4/h8-10H,1,5-6H2,2-4H3
InChIKeyBHXDBLCNBRCCCM-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
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 2,6-dimethyl-3-prop-1-en-2-yloxane?
The IUPAC name of 2,6-dimethyl-3-prop-1-en-2-yloxane (CID 3833578) is 2,6-dimethyl-3-prop-1-en-2-yloxane.
What is the SMILES notation for 2,6-dimethyl-3-prop-1-en-2-yloxane?
The canonical SMILES for 2,6-dimethyl-3-prop-1-en-2-yloxane is C=C(C)C1CCC(C)OC1C.
What is the InChIKey of 2,6-dimethyl-3-prop-1-en-2-yloxane?
The InChIKey is BHXDBLCNBRCCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-7(2)10-6-5-8(3)11-9(10)4/h8-10H,1,5-6H2,2-4H3.
What are the key properties of 2,6-dimethyl-3-prop-1-en-2-yloxane?
2,6-dimethyl-3-prop-1-en-2-yloxane has a molecular weight of 154.25 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-prop-1-en-2-yloxane is sourced from PubChem (CID 3833578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).