(2R,3S)-3-ethenyl-2-propyloxane

C10H18O — CID 134995819

IUPAC(2R,3S)-3-ethenyl-2-propyloxane
SMILESC=C[C@@H]1CCCO[C@@H]1CCC
InChIInChI=1S/C10H18O/c1-3-6-10-9(4-2)7-5-8-11-10/h4,9-10H,2-3,5-8H2,1H3/t9-,10-/m1/s1
InChIKeyZCUKCUSVKAZCBM-NXEZZACHSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds3

About (2R,3S)-3-ethenyl-2-propyloxane

(2R,3S)-3-ethenyl-2-propyloxane (PubChem CID 134995819) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2R,3S)-3-ethenyl-2-propyloxane.

Molecular Properties

Compound Name(2R,3S)-3-ethenyl-2-propyloxane
PubChem CID134995819
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(2R,3S)-3-ethenyl-2-propyloxane
SMILESC=C[C@@H]1CCCO[C@@H]1CCC
InChIInChI=1S/C10H18O/c1-3-6-10-9(4-2)7-5-8-11-10/h4,9-10H,2-3,5-8H2,1H3/t9-,10-/m1/s1
InChIKeyZCUKCUSVKAZCBM-NXEZZACHSA-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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Related Compounds

3,6-Diethenyltetrahydro-2-methyl-2H-pyran
CID 4417734
tetrahydro-4-methylene-2-(2-methylpropyl)-2H-pyran
CID 108399
1-Prop-2-enoxybut-3-enylcyclohexane
CID 10631684
Thromboxene
CID 57129285
4-Methylidene-2-propan-2-yloxane
CID 12283091
4-Methyl-2-(2-methylprop-2-enyl)oxane
CID 13894254
(1-Methoxy-3-buten-1-yl)cyclohexane
CID 10442090
(2S,6S)-2-pentyl-6-prop-2-enyloxane
CID 10512105
(2S,3S)-3-[(E)-hex-1-enyl]-2-propan-2-yloxane
CID 10632276
(2R,3S)-2-cyclohexyl-3-ethenyloxolane
CID 10877738
(2S,4R,6S)-4-methoxy-2-methyl-6-prop-2-enyloxane
CID 11105800
(2R,3S)-2-oct-1-ynyl-3-prop-2-enyloxane
CID 12030656

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-ethenyl-2-propyloxane?
The IUPAC name of (2R,3S)-3-ethenyl-2-propyloxane (CID 134995819) is (2R,3S)-3-ethenyl-2-propyloxane.
What is the SMILES notation for (2R,3S)-3-ethenyl-2-propyloxane?
The canonical SMILES for (2R,3S)-3-ethenyl-2-propyloxane is C=C[C@@H]1CCCO[C@@H]1CCC.
What is the InChIKey of (2R,3S)-3-ethenyl-2-propyloxane?
The InChIKey is ZCUKCUSVKAZCBM-NXEZZACHSA-N. The full InChI is InChI=1S/C10H18O/c1-3-6-10-9(4-2)7-5-8-11-10/h4,9-10H,2-3,5-8H2,1H3/t9-,10-/m1/s1.
What are the key properties of (2R,3S)-3-ethenyl-2-propyloxane?
(2R,3S)-3-ethenyl-2-propyloxane 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 (2R,3S)-3-ethenyl-2-propyloxane is sourced from PubChem (CID 134995819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).