(4R)-4-hydroxy-2-methoxy-3-methyl-5,6-di(propan-2-yloxy)-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one

C17H26O5 — CID 93492957

IUPAC(4R)-4-hydroxy-2-methoxy-3-methyl-5,6-di(propan-2-yloxy)-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one
SMILESC=C(C)[C@@]1(O)C(C)=C(OC)C(=O)C(OC(C)C)=C1OC(C)C
InChIInChI=1S/C17H26O5/c1-9(2)17(19)12(7)14(20-8)13(18)15(21-10(3)4)16(17)22-11(5)6/h10-11,19H,1H2,2-8H3/t17-/m1/s1
InChIKeyVJQWRVLOPLVYLO-QGZVFWFLSA-N
MW310.39 g/mol
LogP2.86
Rot. Bonds6

About (4R)-4-hydroxy-2-methoxy-3-methyl-5,6-di(propan-2-yloxy)-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one

(4R)-4-hydroxy-2-methoxy-3-methyl-5,6-di(propan-2-yloxy)-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one (PubChem CID 93492957) has the molecular formula C17H26O5 and a molecular weight of 310.39 g/mol. Its IUPAC name is (4R)-4-hydroxy-2-methoxy-3-methyl-5,6-di(propan-2-yloxy)-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-2-methoxy-3-methyl-5,6-di(propan-2-yloxy)-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one
PubChem CID93492957
Molecular FormulaC17H26O5
Molecular Weight310.39 g/mol
Exact Mass310.18
IUPAC Name(4R)-4-hydroxy-2-methoxy-3-methyl-5,6-di(propan-2-yloxy)-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one
SMILESC=C(C)[C@@]1(O)C(C)=C(OC)C(=O)C(OC(C)C)=C1OC(C)C
InChIInChI=1S/C17H26O5/c1-9(2)17(19)12(7)14(20-8)13(18)15(21-10(3)4)16(17)22-11(5)6/h10-11,19H,1H2,2-8H3/t17-/m1/s1
InChIKeyVJQWRVLOPLVYLO-QGZVFWFLSA-N
XLogP2.86
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-2-methoxy-3-methyl-5,6-di(propan-2-yloxy)-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one?
The IUPAC name of (4R)-4-hydroxy-2-methoxy-3-methyl-5,6-di(propan-2-yloxy)-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one (CID 93492957) is (4R)-4-hydroxy-2-methoxy-3-methyl-5,6-di(propan-2-yloxy)-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for (4R)-4-hydroxy-2-methoxy-3-methyl-5,6-di(propan-2-yloxy)-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one?
The canonical SMILES for (4R)-4-hydroxy-2-methoxy-3-methyl-5,6-di(propan-2-yloxy)-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one is C=C(C)[C@@]1(O)C(C)=C(OC)C(=O)C(OC(C)C)=C1OC(C)C.
What is the InChIKey of (4R)-4-hydroxy-2-methoxy-3-methyl-5,6-di(propan-2-yloxy)-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one?
The InChIKey is VJQWRVLOPLVYLO-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26O5/c1-9(2)17(19)12(7)14(20-8)13(18)15(21-10(3)4)16(17)22-11(5)6/h10-11,19H,1H2,2-8H3/t17-/m1/s1.
What are the key properties of (4R)-4-hydroxy-2-methoxy-3-methyl-5,6-di(propan-2-yloxy)-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one?
(4R)-4-hydroxy-2-methoxy-3-methyl-5,6-di(propan-2-yloxy)-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one has a molecular weight of 310.39 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-2-methoxy-3-methyl-5,6-di(propan-2-yloxy)-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 93492957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).