(2R,3S,4S,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxane-3,4-diol

C16H26O3 — CID 163007351

IUPAC(2R,3S,4S,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxane-3,4-diol
SMILESCCC/C=C/C=C/C=C(\C)[C@H]1OC[C@H](C)[C@H](O)[C@@H]1O
InChIInChI=1S/C16H26O3/c1-4-5-6-7-8-9-10-12(2)16-15(18)14(17)13(3)11-19-16/h6-10,13-18H,4-5,11H2,1-3H3/b7-6+,9-8+,12-10+/t13-,14-,15-,16+/m0/s1
InChIKeySSDFRIQMXWLXBU-QRENHWBUSA-N
MW266.38 g/mol
LogP2.60
Rot. Bonds5

About (2R,3S,4S,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxane-3,4-diol

(2R,3S,4S,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxane-3,4-diol (PubChem CID 163007351) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is (2R,3S,4S,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxane-3,4-diol
PubChem CID163007351
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name(2R,3S,4S,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxane-3,4-diol
SMILESCCC/C=C/C=C/C=C(\C)[C@H]1OC[C@H](C)[C@H](O)[C@@H]1O
InChIInChI=1S/C16H26O3/c1-4-5-6-7-8-9-10-12(2)16-15(18)14(17)13(3)11-19-16/h6-10,13-18H,4-5,11H2,1-3H3/b7-6+,9-8+,12-10+/t13-,14-,15-,16+/m0/s1
InChIKeySSDFRIQMXWLXBU-QRENHWBUSA-N
XLogP2.60
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxane-3,4-diol?
The IUPAC name of (2R,3S,4S,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxane-3,4-diol (CID 163007351) is (2R,3S,4S,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxane-3,4-diol is CCC/C=C/C=C/C=C(\C)[C@H]1OC[C@H](C)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxane-3,4-diol?
The InChIKey is SSDFRIQMXWLXBU-QRENHWBUSA-N. The full InChI is InChI=1S/C16H26O3/c1-4-5-6-7-8-9-10-12(2)16-15(18)14(17)13(3)11-19-16/h6-10,13-18H,4-5,11H2,1-3H3/b7-6+,9-8+,12-10+/t13-,14-,15-,16+/m0/s1.
What are the key properties of (2R,3S,4S,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxane-3,4-diol?
(2R,3S,4S,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxane-3,4-diol has a molecular weight of 266.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-5-methyloxane-3,4-diol is sourced from PubChem (CID 163007351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).