(2E,5Z,7R,8R)-8-hydroxy-7-[(4-methoxyphenyl)methoxy]-3-trimethylsilylcycloocta-2,5-dien-1-one

C19H26O4Si — CID 11462133

IUPAC(2E,5Z,7R,8R)-8-hydroxy-7-[(4-methoxyphenyl)methoxy]-3-trimethylsilylcycloocta-2,5-dien-1-one
SMILESCOc1ccc(CO[C@@H]2/C=C\C/C([Si](C)(C)C)=C\C(=O)[C@@H]2O)cc1
InChIInChI=1S/C19H26O4Si/c1-22-15-10-8-14(9-11-15)13-23-18-7-5-6-16(24(2,3)4)12-17(20)19(18)21/h5,7-12,18-19,21H,6,13H2,1-4H3/b7-5-,16-12+/t18-,19+/m1/s1
InChIKeyCUUXHDDSGFIIKH-BXMVMEAASA-N
MW346.50 g/mol
LogP3.27
Rot. Bonds5

About (2E,5Z,7R,8R)-8-hydroxy-7-[(4-methoxyphenyl)methoxy]-3-trimethylsilylcycloocta-2,5-dien-1-one

(2E,5Z,7R,8R)-8-hydroxy-7-[(4-methoxyphenyl)methoxy]-3-trimethylsilylcycloocta-2,5-dien-1-one (PubChem CID 11462133) has the molecular formula C19H26O4Si and a molecular weight of 346.50 g/mol. Its IUPAC name is (2E,5Z,7R,8R)-8-hydroxy-7-[(4-methoxyphenyl)methoxy]-3-trimethylsilylcycloocta-2,5-dien-1-one.

Molecular Properties

Compound Name(2E,5Z,7R,8R)-8-hydroxy-7-[(4-methoxyphenyl)methoxy]-3-trimethylsilylcycloocta-2,5-dien-1-one
PubChem CID11462133
Molecular FormulaC19H26O4Si
Molecular Weight346.50 g/mol
Exact Mass346.16
IUPAC Name(2E,5Z,7R,8R)-8-hydroxy-7-[(4-methoxyphenyl)methoxy]-3-trimethylsilylcycloocta-2,5-dien-1-one
SMILESCOc1ccc(CO[C@@H]2/C=C\C/C([Si](C)(C)C)=C\C(=O)[C@@H]2O)cc1
InChIInChI=1S/C19H26O4Si/c1-22-15-10-8-14(9-11-15)13-23-18-7-5-6-16(24(2,3)4)12-17(20)19(18)21/h5,7-12,18-19,21H,6,13H2,1-4H3/b7-5-,16-12+/t18-,19+/m1/s1
InChIKeyCUUXHDDSGFIIKH-BXMVMEAASA-N
XLogP3.27
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-2-[(4-methoxyphenyl)methoxy]cycloheptan-1-ol
CID 16720719
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CID 91096427
(1S,2S,3R,4R,5S,6S)-2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11039611
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
(1S,2R,3R,4S,5S,6R)-3-[(4-methoxyphenyl)methoxy]-4,5,6-tris(prop-2-enoxy)cyclohexane-1,2-diol
CID 10502229
(1R,3S,4R,6R)-5-[(4-methoxyphenyl)methoxy]-2,4,6-tris(phenylmethoxy)cyclohexane-1,3-diol
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5-hydroxy-4-[(4-methoxyphenyl)methoxy]-2,6,6-trimethylcyclohept-2-en-1-one
CID 22922331
(5S,6S)-6-ethyl-6-[(4-methoxyphenyl)methoxy]-5-methylcyclohex-3-en-1-one
CID 71698025
8,9-bis[(4-methoxyphenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol
CID 11842161
(3R,4R,5S,6S)-4-[(4-methoxyphenyl)methoxy]-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol
CID 11762365
3-[(4-methoxyphenyl)methoxy]-1-methylazetidine
CID 20517347
(1S,2R,3R,4S,5S,6R)-3-[(4-methoxyphenyl)methoxy]-5,6-bis(phenylmethoxy)-4-prop-2-enoxycyclohexane-1,2-diol
CID 11060387

Frequently Asked Questions

What is the IUPAC name of (2E,5Z,7R,8R)-8-hydroxy-7-[(4-methoxyphenyl)methoxy]-3-trimethylsilylcycloocta-2,5-dien-1-one?
The IUPAC name of (2E,5Z,7R,8R)-8-hydroxy-7-[(4-methoxyphenyl)methoxy]-3-trimethylsilylcycloocta-2,5-dien-1-one (CID 11462133) is (2E,5Z,7R,8R)-8-hydroxy-7-[(4-methoxyphenyl)methoxy]-3-trimethylsilylcycloocta-2,5-dien-1-one.
What is the SMILES notation for (2E,5Z,7R,8R)-8-hydroxy-7-[(4-methoxyphenyl)methoxy]-3-trimethylsilylcycloocta-2,5-dien-1-one?
The canonical SMILES for (2E,5Z,7R,8R)-8-hydroxy-7-[(4-methoxyphenyl)methoxy]-3-trimethylsilylcycloocta-2,5-dien-1-one is COc1ccc(CO[C@@H]2/C=C\C/C([Si](C)(C)C)=C\C(=O)[C@@H]2O)cc1.
What is the InChIKey of (2E,5Z,7R,8R)-8-hydroxy-7-[(4-methoxyphenyl)methoxy]-3-trimethylsilylcycloocta-2,5-dien-1-one?
The InChIKey is CUUXHDDSGFIIKH-BXMVMEAASA-N. The full InChI is InChI=1S/C19H26O4Si/c1-22-15-10-8-14(9-11-15)13-23-18-7-5-6-16(24(2,3)4)12-17(20)19(18)21/h5,7-12,18-19,21H,6,13H2,1-4H3/b7-5-,16-12+/t18-,19+/m1/s1.
What are the key properties of (2E,5Z,7R,8R)-8-hydroxy-7-[(4-methoxyphenyl)methoxy]-3-trimethylsilylcycloocta-2,5-dien-1-one?
(2E,5Z,7R,8R)-8-hydroxy-7-[(4-methoxyphenyl)methoxy]-3-trimethylsilylcycloocta-2,5-dien-1-one has a molecular weight of 346.50 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z,7R,8R)-8-hydroxy-7-[(4-methoxyphenyl)methoxy]-3-trimethylsilylcycloocta-2,5-dien-1-one is sourced from PubChem (CID 11462133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).