(4S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyloxolane

C11H18O — CID 89392948

IUPAC(4S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyloxolane
SMILESC=CCC1OC(C)(C)C[C@H]1C=C
InChIInChI=1S/C11H18O/c1-5-7-10-9(6-2)8-11(3,4)12-10/h5-6,9-10H,1-2,7-8H2,3-4H3/t9-,10?/m1/s1
InChIKeyLHRAVVUHGNKMNM-YHMJZVADSA-N
MW166.26 g/mol
LogP2.93
Rot. Bonds3

About (4S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyloxolane

(4S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyloxolane (PubChem CID 89392948) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (4S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyloxolane.

Molecular Properties

Compound Name(4S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyloxolane
PubChem CID89392948
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(4S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyloxolane
SMILESC=CCC1OC(C)(C)C[C@H]1C=C
InChIInChI=1S/C11H18O/c1-5-7-10-9(6-2)8-11(3,4)12-10/h5-6,9-10H,1-2,7-8H2,3-4H3/t9-,10?/m1/s1
InChIKeyLHRAVVUHGNKMNM-YHMJZVADSA-N
XLogP2.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.93
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 (4S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyloxolane?
The IUPAC name of (4S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyloxolane (CID 89392948) is (4S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyloxolane.
What is the SMILES notation for (4S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyloxolane?
The canonical SMILES for (4S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyloxolane is C=CCC1OC(C)(C)C[C@H]1C=C.
What is the InChIKey of (4S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyloxolane?
The InChIKey is LHRAVVUHGNKMNM-YHMJZVADSA-N. The full InChI is InChI=1S/C11H18O/c1-5-7-10-9(6-2)8-11(3,4)12-10/h5-6,9-10H,1-2,7-8H2,3-4H3/t9-,10?/m1/s1.
What are the key properties of (4S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyloxolane?
(4S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyloxolane has a molecular weight of 166.26 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethenyl-2,2-dimethyl-5-prop-2-enyloxolane is sourced from PubChem (CID 89392948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).