(3S)-2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane

C11H20O2 — CID 59883477

IUPAC(3S)-2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane
SMILESC=CCC1OC(CC)[C@H](C)C1OC
InChIInChI=1S/C11H20O2/c1-5-7-10-11(12-4)8(3)9(6-2)13-10/h5,8-11H,1,6-7H2,2-4H3/t8-,9?,10?,11?/m0/s1
InChIKeyBEZFFKXJQUKEGQ-FBAUCUACSA-N
MW184.28 g/mol
LogP2.39
Rot. Bonds4

About (3S)-2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane

(3S)-2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane (PubChem CID 59883477) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (3S)-2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane.

Molecular Properties

Compound Name(3S)-2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane
PubChem CID59883477
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(3S)-2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane
SMILESC=CCC1OC(CC)[C@H](C)C1OC
InChIInChI=1S/C11H20O2/c1-5-7-10-11(12-4)8(3)9(6-2)13-10/h5,8-11H,1,6-7H2,2-4H3/t8-,9?,10?,11?/m0/s1
InChIKeyBEZFFKXJQUKEGQ-FBAUCUACSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (3S)-2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane?
The IUPAC name of (3S)-2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane (CID 59883477) is (3S)-2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane.
What is the SMILES notation for (3S)-2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane?
The canonical SMILES for (3S)-2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane is C=CCC1OC(CC)[C@H](C)C1OC.
What is the InChIKey of (3S)-2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane?
The InChIKey is BEZFFKXJQUKEGQ-FBAUCUACSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-7-10-11(12-4)8(3)9(6-2)13-10/h5,8-11H,1,6-7H2,2-4H3/t8-,9?,10?,11?/m0/s1.
What are the key properties of (3S)-2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane?
(3S)-2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane has a molecular weight of 184.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane is sourced from PubChem (CID 59883477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).