6-methyl-2-prop-1-enyl-3-prop-1-en-2-yloxane

C12H20O — CID 3842532

IUPAC6-methyl-2-prop-1-enyl-3-prop-1-en-2-yloxane
SMILESC=C(C)C1CCC(C)OC1C=CC
InChIInChI=1S/C12H20O/c1-5-6-12-11(9(2)3)8-7-10(4)13-12/h5-6,10-12H,2,7-8H2,1,3-4H3
InChIKeyQXXUGQSBPWWMBA-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.32
Rot. Bonds2

About 6-methyl-2-prop-1-enyl-3-prop-1-en-2-yloxane

6-methyl-2-prop-1-enyl-3-prop-1-en-2-yloxane (PubChem CID 3842532) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 6-methyl-2-prop-1-enyl-3-prop-1-en-2-yloxane.

Molecular Properties

Compound Name6-methyl-2-prop-1-enyl-3-prop-1-en-2-yloxane
PubChem CID3842532
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name6-methyl-2-prop-1-enyl-3-prop-1-en-2-yloxane
SMILESC=C(C)C1CCC(C)OC1C=CC
InChIInChI=1S/C12H20O/c1-5-6-12-11(9(2)3)8-7-10(4)13-12/h5-6,10-12H,2,7-8H2,1,3-4H3
InChIKeyQXXUGQSBPWWMBA-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.32
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 6-methyl-2-prop-1-enyl-3-prop-1-en-2-yloxane?
The IUPAC name of 6-methyl-2-prop-1-enyl-3-prop-1-en-2-yloxane (CID 3842532) is 6-methyl-2-prop-1-enyl-3-prop-1-en-2-yloxane.
What is the SMILES notation for 6-methyl-2-prop-1-enyl-3-prop-1-en-2-yloxane?
The canonical SMILES for 6-methyl-2-prop-1-enyl-3-prop-1-en-2-yloxane is C=C(C)C1CCC(C)OC1C=CC.
What is the InChIKey of 6-methyl-2-prop-1-enyl-3-prop-1-en-2-yloxane?
The InChIKey is QXXUGQSBPWWMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-5-6-12-11(9(2)3)8-7-10(4)13-12/h5-6,10-12H,2,7-8H2,1,3-4H3.
What are the key properties of 6-methyl-2-prop-1-enyl-3-prop-1-en-2-yloxane?
6-methyl-2-prop-1-enyl-3-prop-1-en-2-yloxane has a molecular weight of 180.29 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-prop-1-enyl-3-prop-1-en-2-yloxane is sourced from PubChem (CID 3842532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).