(2E,4E,8Z,12E)-9-hydroxy-5,13-dimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile

C23H37NO2Si — CID 23375465

IUPAC(2E,4E,8Z,12E)-9-hydroxy-5,13-dimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile
SMILESC/C1=C\C=C(/C(C)C)C(C#N)(O[Si](C)(C)C)C/C(C)=C/CC/C(O)=C/CC1
InChIInChI=1S/C23H37NO2Si/c1-18(2)22-15-14-19(3)10-8-12-21(25)13-9-11-20(4)16-23(22,17-24)26-27(5,6)7/h11-12,14-15,18,25H,8-10,13,16H2,1-7H3/b19-14+,20-11+,21-12-,22-15+
InChIKeySAYBEVKHGBDKBJ-OZUYTGKPSA-N
MW387.64 g/mol
LogP6.98
Rot. Bonds3

About (2E,4E,8Z,12E)-9-hydroxy-5,13-dimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile

(2E,4E,8Z,12E)-9-hydroxy-5,13-dimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile (PubChem CID 23375465) has the molecular formula C23H37NO2Si and a molecular weight of 387.64 g/mol. Its IUPAC name is (2E,4E,8Z,12E)-9-hydroxy-5,13-dimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile.

Molecular Properties

Compound Name(2E,4E,8Z,12E)-9-hydroxy-5,13-dimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile
PubChem CID23375465
Molecular FormulaC23H37NO2Si
Molecular Weight387.64 g/mol
Exact Mass387.26
IUPAC Name(2E,4E,8Z,12E)-9-hydroxy-5,13-dimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile
SMILESC/C1=C\C=C(/C(C)C)C(C#N)(O[Si](C)(C)C)C/C(C)=C/CC/C(O)=C/CC1
InChIInChI=1S/C23H37NO2Si/c1-18(2)22-15-14-19(3)10-8-12-21(25)13-9-11-20(4)16-23(22,17-24)26-27(5,6)7/h11-12,14-15,18,25H,8-10,13,16H2,1-7H3/b19-14+,20-11+,21-12-,22-15+
InChIKeySAYBEVKHGBDKBJ-OZUYTGKPSA-N
XLogP6.98
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.64
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,8Z,12E)-9-hydroxy-5,13-dimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile?
The IUPAC name of (2E,4E,8Z,12E)-9-hydroxy-5,13-dimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile (CID 23375465) is (2E,4E,8Z,12E)-9-hydroxy-5,13-dimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile.
What is the SMILES notation for (2E,4E,8Z,12E)-9-hydroxy-5,13-dimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile?
The canonical SMILES for (2E,4E,8Z,12E)-9-hydroxy-5,13-dimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile is C/C1=C\C=C(/C(C)C)C(C#N)(O[Si](C)(C)C)C/C(C)=C/CC/C(O)=C/CC1.
What is the InChIKey of (2E,4E,8Z,12E)-9-hydroxy-5,13-dimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile?
The InChIKey is SAYBEVKHGBDKBJ-OZUYTGKPSA-N. The full InChI is InChI=1S/C23H37NO2Si/c1-18(2)22-15-14-19(3)10-8-12-21(25)13-9-11-20(4)16-23(22,17-24)26-27(5,6)7/h11-12,14-15,18,25H,8-10,13,16H2,1-7H3/b19-14+,20-11+,21-12-,22-15+.
What are the key properties of (2E,4E,8Z,12E)-9-hydroxy-5,13-dimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile?
(2E,4E,8Z,12E)-9-hydroxy-5,13-dimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile has a molecular weight of 387.64 g/mol, XLogP of 6.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8Z,12E)-9-hydroxy-5,13-dimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile is sourced from PubChem (CID 23375465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).