(2R,3S)-3-non-8-enoxy-2-prop-2-enyloxane

C17H30O2 — CID 10659433

IUPAC(2R,3S)-3-non-8-enoxy-2-prop-2-enyloxane
SMILESC=CCCCCCCCO[C@H]1CCCO[C@@H]1CC=C
InChIInChI=1S/C17H30O2/c1-3-5-6-7-8-9-10-14-18-17-13-11-15-19-16(17)12-4-2/h3-4,16-17H,1-2,5-15H2/t16-,17+/m1/s1
InChIKeyLDTXUDNWBYXIAN-SJORKVTESA-N
MW266.42 g/mol
LogP4.65
Rot. Bonds11

About (2R,3S)-3-non-8-enoxy-2-prop-2-enyloxane

(2R,3S)-3-non-8-enoxy-2-prop-2-enyloxane (PubChem CID 10659433) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is (2R,3S)-3-non-8-enoxy-2-prop-2-enyloxane.

Molecular Properties

Compound Name(2R,3S)-3-non-8-enoxy-2-prop-2-enyloxane
PubChem CID10659433
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name(2R,3S)-3-non-8-enoxy-2-prop-2-enyloxane
SMILESC=CCCCCCCCO[C@H]1CCCO[C@@H]1CC=C
InChIInChI=1S/C17H30O2/c1-3-5-6-7-8-9-10-14-18-17-13-11-15-19-16(17)12-4-2/h3-4,16-17H,1-2,5-15H2/t16-,17+/m1/s1
InChIKeyLDTXUDNWBYXIAN-SJORKVTESA-N
XLogP4.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-non-8-enoxy-2-prop-2-enyloxane?
The IUPAC name of (2R,3S)-3-non-8-enoxy-2-prop-2-enyloxane (CID 10659433) is (2R,3S)-3-non-8-enoxy-2-prop-2-enyloxane.
What is the SMILES notation for (2R,3S)-3-non-8-enoxy-2-prop-2-enyloxane?
The canonical SMILES for (2R,3S)-3-non-8-enoxy-2-prop-2-enyloxane is C=CCCCCCCCO[C@H]1CCCO[C@@H]1CC=C.
What is the InChIKey of (2R,3S)-3-non-8-enoxy-2-prop-2-enyloxane?
The InChIKey is LDTXUDNWBYXIAN-SJORKVTESA-N. The full InChI is InChI=1S/C17H30O2/c1-3-5-6-7-8-9-10-14-18-17-13-11-15-19-16(17)12-4-2/h3-4,16-17H,1-2,5-15H2/t16-,17+/m1/s1.
What are the key properties of (2R,3S)-3-non-8-enoxy-2-prop-2-enyloxane?
(2R,3S)-3-non-8-enoxy-2-prop-2-enyloxane has a molecular weight of 266.42 g/mol, XLogP of 4.65, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-non-8-enoxy-2-prop-2-enyloxane is sourced from PubChem (CID 10659433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).