2-[(4E,6S)-4,6-dimethylocta-2,4-dien-2-yl]-6-methoxy-3,5-dimethylpyran-4-one

C18H26O3 — CID 146682275

IUPAC2-[(4E,6S)-4,6-dimethylocta-2,4-dien-2-yl]-6-methoxy-3,5-dimethylpyran-4-one
SMILESCC[C@H](C)/C=C(\C)C=C(C)c1oc(OC)c(C)c(=O)c1C
InChIInChI=1S/C18H26O3/c1-8-11(2)9-12(3)10-13(4)17-14(5)16(19)15(6)18(20-7)21-17/h9-11H,8H2,1-7H3/b12-9+,13-10?/t11-/m0/s1
InChIKeyVVXIWDINVFYTTQ-FRTCBRJCSA-N
MW290.40 g/mol
LogP4.66
Rot. Bonds5

About 2-[(4E,6S)-4,6-dimethylocta-2,4-dien-2-yl]-6-methoxy-3,5-dimethylpyran-4-one

2-[(4E,6S)-4,6-dimethylocta-2,4-dien-2-yl]-6-methoxy-3,5-dimethylpyran-4-one (PubChem CID 146682275) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-[(4E,6S)-4,6-dimethylocta-2,4-dien-2-yl]-6-methoxy-3,5-dimethylpyran-4-one.

Molecular Properties

Compound Name2-[(4E,6S)-4,6-dimethylocta-2,4-dien-2-yl]-6-methoxy-3,5-dimethylpyran-4-one
PubChem CID146682275
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name2-[(4E,6S)-4,6-dimethylocta-2,4-dien-2-yl]-6-methoxy-3,5-dimethylpyran-4-one
SMILESCC[C@H](C)/C=C(\C)C=C(C)c1oc(OC)c(C)c(=O)c1C
InChIInChI=1S/C18H26O3/c1-8-11(2)9-12(3)10-13(4)17-14(5)16(19)15(6)18(20-7)21-17/h9-11H,8H2,1-7H3/b12-9+,13-10?/t11-/m0/s1
InChIKeyVVXIWDINVFYTTQ-FRTCBRJCSA-N
XLogP4.66
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.66
H-Bond Donors ≤ 50
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 2-[(4E,6S)-4,6-dimethylocta-2,4-dien-2-yl]-6-methoxy-3,5-dimethylpyran-4-one?
The IUPAC name of 2-[(4E,6S)-4,6-dimethylocta-2,4-dien-2-yl]-6-methoxy-3,5-dimethylpyran-4-one (CID 146682275) is 2-[(4E,6S)-4,6-dimethylocta-2,4-dien-2-yl]-6-methoxy-3,5-dimethylpyran-4-one.
What is the SMILES notation for 2-[(4E,6S)-4,6-dimethylocta-2,4-dien-2-yl]-6-methoxy-3,5-dimethylpyran-4-one?
The canonical SMILES for 2-[(4E,6S)-4,6-dimethylocta-2,4-dien-2-yl]-6-methoxy-3,5-dimethylpyran-4-one is CC[C@H](C)/C=C(\C)C=C(C)c1oc(OC)c(C)c(=O)c1C.
What is the InChIKey of 2-[(4E,6S)-4,6-dimethylocta-2,4-dien-2-yl]-6-methoxy-3,5-dimethylpyran-4-one?
The InChIKey is VVXIWDINVFYTTQ-FRTCBRJCSA-N. The full InChI is InChI=1S/C18H26O3/c1-8-11(2)9-12(3)10-13(4)17-14(5)16(19)15(6)18(20-7)21-17/h9-11H,8H2,1-7H3/b12-9+,13-10?/t11-/m0/s1.
What are the key properties of 2-[(4E,6S)-4,6-dimethylocta-2,4-dien-2-yl]-6-methoxy-3,5-dimethylpyran-4-one?
2-[(4E,6S)-4,6-dimethylocta-2,4-dien-2-yl]-6-methoxy-3,5-dimethylpyran-4-one has a molecular weight of 290.40 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E,6S)-4,6-dimethylocta-2,4-dien-2-yl]-6-methoxy-3,5-dimethylpyran-4-one is sourced from PubChem (CID 146682275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).