(2R,4R,5S)-2-deca-2,4,6-trien-2-yl-4-methoxy-5-methyloxane

C17H28O2 — CID 173352389

IUPAC(2R,4R,5S)-2-deca-2,4,6-trien-2-yl-4-methoxy-5-methyloxane
SMILESCCCC=CC=CC=C(C)[C@H]1C[C@@H](OC)[C@@H](C)CO1
InChIInChI=1S/C17H28O2/c1-5-6-7-8-9-10-11-14(2)17-12-16(18-4)15(3)13-19-17/h7-11,15-17H,5-6,12-13H2,1-4H3/t15-,16+,17+/m0/s1
InChIKeyNKOCRHYYHGHDCF-GVDBMIGSSA-N
MW264.41 g/mol
LogP4.29
Rot. Bonds6

About (2R,4R,5S)-2-deca-2,4,6-trien-2-yl-4-methoxy-5-methyloxane

(2R,4R,5S)-2-deca-2,4,6-trien-2-yl-4-methoxy-5-methyloxane (PubChem CID 173352389) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (2R,4R,5S)-2-deca-2,4,6-trien-2-yl-4-methoxy-5-methyloxane.

Molecular Properties

Compound Name(2R,4R,5S)-2-deca-2,4,6-trien-2-yl-4-methoxy-5-methyloxane
PubChem CID173352389
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name(2R,4R,5S)-2-deca-2,4,6-trien-2-yl-4-methoxy-5-methyloxane
SMILESCCCC=CC=CC=C(C)[C@H]1C[C@@H](OC)[C@@H](C)CO1
InChIInChI=1S/C17H28O2/c1-5-6-7-8-9-10-11-14(2)17-12-16(18-4)15(3)13-19-17/h7-11,15-17H,5-6,12-13H2,1-4H3/t15-,16+,17+/m0/s1
InChIKeyNKOCRHYYHGHDCF-GVDBMIGSSA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,4R,5S)-2-deca-2,4,6-trien-2-yl-4-methoxy-5-methyloxane?
The IUPAC name of (2R,4R,5S)-2-deca-2,4,6-trien-2-yl-4-methoxy-5-methyloxane (CID 173352389) is (2R,4R,5S)-2-deca-2,4,6-trien-2-yl-4-methoxy-5-methyloxane.
What is the SMILES notation for (2R,4R,5S)-2-deca-2,4,6-trien-2-yl-4-methoxy-5-methyloxane?
The canonical SMILES for (2R,4R,5S)-2-deca-2,4,6-trien-2-yl-4-methoxy-5-methyloxane is CCCC=CC=CC=C(C)[C@H]1C[C@@H](OC)[C@@H](C)CO1.
What is the InChIKey of (2R,4R,5S)-2-deca-2,4,6-trien-2-yl-4-methoxy-5-methyloxane?
The InChIKey is NKOCRHYYHGHDCF-GVDBMIGSSA-N. The full InChI is InChI=1S/C17H28O2/c1-5-6-7-8-9-10-11-14(2)17-12-16(18-4)15(3)13-19-17/h7-11,15-17H,5-6,12-13H2,1-4H3/t15-,16+,17+/m0/s1.
What are the key properties of (2R,4R,5S)-2-deca-2,4,6-trien-2-yl-4-methoxy-5-methyloxane?
(2R,4R,5S)-2-deca-2,4,6-trien-2-yl-4-methoxy-5-methyloxane has a molecular weight of 264.41 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S)-2-deca-2,4,6-trien-2-yl-4-methoxy-5-methyloxane is sourced from PubChem (CID 173352389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).