(2S,3R,4S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-3-methoxyoxan-4-ol

C16H26O3 — CID 162914242

IUPAC(2S,3R,4S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-3-methoxyoxan-4-ol
SMILESCCC/C=C/C=C/C=C(\C)[C@@H]1OCC[C@H](O)[C@H]1OC
InChIInChI=1S/C16H26O3/c1-4-5-6-7-8-9-10-13(2)15-16(18-3)14(17)11-12-19-15/h6-10,14-17H,4-5,11-12H2,1-3H3/b7-6+,9-8+,13-10+/t14-,15-,16+/m0/s1
InChIKeyLQZSSTHPSQQTRK-IXJUSUHCSA-N
MW266.38 g/mol
LogP3.01
Rot. Bonds6

About (2S,3R,4S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-3-methoxyoxan-4-ol

(2S,3R,4S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-3-methoxyoxan-4-ol (PubChem CID 162914242) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is (2S,3R,4S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-3-methoxyoxan-4-ol.

Molecular Properties

Compound Name(2S,3R,4S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-3-methoxyoxan-4-ol
PubChem CID162914242
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name(2S,3R,4S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-3-methoxyoxan-4-ol
SMILESCCC/C=C/C=C/C=C(\C)[C@@H]1OCC[C@H](O)[C@H]1OC
InChIInChI=1S/C16H26O3/c1-4-5-6-7-8-9-10-13(2)15-16(18-3)14(17)11-12-19-15/h6-10,14-17H,4-5,11-12H2,1-3H3/b7-6+,9-8+,13-10+/t14-,15-,16+/m0/s1
InChIKeyLQZSSTHPSQQTRK-IXJUSUHCSA-N
XLogP3.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
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 (2S,3R,4S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-3-methoxyoxan-4-ol?
The IUPAC name of (2S,3R,4S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-3-methoxyoxan-4-ol (CID 162914242) is (2S,3R,4S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-3-methoxyoxan-4-ol.
What is the SMILES notation for (2S,3R,4S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-3-methoxyoxan-4-ol?
The canonical SMILES for (2S,3R,4S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-3-methoxyoxan-4-ol is CCC/C=C/C=C/C=C(\C)[C@@H]1OCC[C@H](O)[C@H]1OC.
What is the InChIKey of (2S,3R,4S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-3-methoxyoxan-4-ol?
The InChIKey is LQZSSTHPSQQTRK-IXJUSUHCSA-N. The full InChI is InChI=1S/C16H26O3/c1-4-5-6-7-8-9-10-13(2)15-16(18-3)14(17)11-12-19-15/h6-10,14-17H,4-5,11-12H2,1-3H3/b7-6+,9-8+,13-10+/t14-,15-,16+/m0/s1.
What are the key properties of (2S,3R,4S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-3-methoxyoxan-4-ol?
(2S,3R,4S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-3-methoxyoxan-4-ol has a molecular weight of 266.38 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-2-[(2E,4E,6E)-deca-2,4,6-trien-2-yl]-3-methoxyoxan-4-ol is sourced from PubChem (CID 162914242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).