ethane;3-methylidene-2-propyloxolane

C10H20O — CID 142619412

IUPACethane;3-methylidene-2-propyloxolane
SMILESC=C1CCOC1CCC.CC
InChIInChI=1S/C8H14O.C2H6/c1-3-4-8-7(2)5-6-9-8;1-2/h8H,2-6H2,1H3;1-2H3
InChIKeySSYSJFVPDABYFD-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.16
Rot. Bonds2

About ethane;3-methylidene-2-propyloxolane

ethane;3-methylidene-2-propyloxolane (PubChem CID 142619412) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is ethane;3-methylidene-2-propyloxolane.

Molecular Properties

Compound Nameethane;3-methylidene-2-propyloxolane
PubChem CID142619412
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Nameethane;3-methylidene-2-propyloxolane
SMILESC=C1CCOC1CCC.CC
InChIInChI=1S/C8H14O.C2H6/c1-3-4-8-7(2)5-6-9-8;1-2/h8H,2-6H2,1H3;1-2H3
InChIKeySSYSJFVPDABYFD-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.16
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 ethane;3-methylidene-2-propyloxolane?
The IUPAC name of ethane;3-methylidene-2-propyloxolane (CID 142619412) is ethane;3-methylidene-2-propyloxolane.
What is the SMILES notation for ethane;3-methylidene-2-propyloxolane?
The canonical SMILES for ethane;3-methylidene-2-propyloxolane is C=C1CCOC1CCC.CC.
What is the InChIKey of ethane;3-methylidene-2-propyloxolane?
The InChIKey is SSYSJFVPDABYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O.C2H6/c1-3-4-8-7(2)5-6-9-8;1-2/h8H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;3-methylidene-2-propyloxolane?
ethane;3-methylidene-2-propyloxolane has a molecular weight of 156.27 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylidene-2-propyloxolane is sourced from PubChem (CID 142619412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).