5-methyl-2-prop-1-enyloxepane

C10H18O — CID 69102257

IUPAC5-methyl-2-prop-1-enyloxepane
SMILESCC=CC1CCC(C)CCO1
InChIInChI=1S/C10H18O/c1-3-4-10-6-5-9(2)7-8-11-10/h3-4,9-10H,5-8H2,1-2H3
InChIKeyGXAABNVIAUJNOR-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds1

About 5-methyl-2-prop-1-enyloxepane

5-methyl-2-prop-1-enyloxepane (PubChem CID 69102257) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 5-methyl-2-prop-1-enyloxepane.

Molecular Properties

Compound Name5-methyl-2-prop-1-enyloxepane
PubChem CID69102257
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name5-methyl-2-prop-1-enyloxepane
SMILESCC=CC1CCC(C)CCO1
InChIInChI=1S/C10H18O/c1-3-4-10-6-5-9(2)7-8-11-10/h3-4,9-10H,5-8H2,1-2H3
InChIKeyGXAABNVIAUJNOR-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 5-methyl-2-prop-1-enyloxepane?
The IUPAC name of 5-methyl-2-prop-1-enyloxepane (CID 69102257) is 5-methyl-2-prop-1-enyloxepane.
What is the SMILES notation for 5-methyl-2-prop-1-enyloxepane?
The canonical SMILES for 5-methyl-2-prop-1-enyloxepane is CC=CC1CCC(C)CCO1.
What is the InChIKey of 5-methyl-2-prop-1-enyloxepane?
The InChIKey is GXAABNVIAUJNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-4-10-6-5-9(2)7-8-11-10/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 5-methyl-2-prop-1-enyloxepane?
5-methyl-2-prop-1-enyloxepane 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 5-methyl-2-prop-1-enyloxepane is sourced from PubChem (CID 69102257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).