2-propan-2-yl-5-prop-2-enyloxolane

C10H18O — CID 16704649

IUPAC2-propan-2-yl-5-prop-2-enyloxolane
SMILESC=CCC1CCC(C(C)C)O1
InChIInChI=1S/C10H18O/c1-4-5-9-6-7-10(11-9)8(2)3/h4,8-10H,1,5-7H2,2-3H3
InChIKeyAOPAMZAZMHHLEZ-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds3

About 2-propan-2-yl-5-prop-2-enyloxolane

2-propan-2-yl-5-prop-2-enyloxolane (PubChem CID 16704649) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-propan-2-yl-5-prop-2-enyloxolane.

Molecular Properties

Compound Name2-propan-2-yl-5-prop-2-enyloxolane
PubChem CID16704649
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-propan-2-yl-5-prop-2-enyloxolane
SMILESC=CCC1CCC(C(C)C)O1
InChIInChI=1S/C10H18O/c1-4-5-9-6-7-10(11-9)8(2)3/h4,8-10H,1,5-7H2,2-3H3
InChIKeyAOPAMZAZMHHLEZ-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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-propan-2-yl-5-prop-2-enyloxolane?
The IUPAC name of 2-propan-2-yl-5-prop-2-enyloxolane (CID 16704649) is 2-propan-2-yl-5-prop-2-enyloxolane.
What is the SMILES notation for 2-propan-2-yl-5-prop-2-enyloxolane?
The canonical SMILES for 2-propan-2-yl-5-prop-2-enyloxolane is C=CCC1CCC(C(C)C)O1.
What is the InChIKey of 2-propan-2-yl-5-prop-2-enyloxolane?
The InChIKey is AOPAMZAZMHHLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-5-9-6-7-10(11-9)8(2)3/h4,8-10H,1,5-7H2,2-3H3.
What are the key properties of 2-propan-2-yl-5-prop-2-enyloxolane?
2-propan-2-yl-5-prop-2-enyloxolane has a molecular weight of 154.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-prop-2-enyloxolane is sourced from PubChem (CID 16704649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).