(E,3S,4R)-1-(cyclohexen-1-yl)-4-methyl-5-triethylsilyloxypent-1-en-3-ol

C18H34O2Si — CID 134945879

IUPAC(E,3S,4R)-1-(cyclohexen-1-yl)-4-methyl-5-triethylsilyloxypent-1-en-3-ol
SMILESCC[Si](CC)(CC)OC[C@@H](C)[C@@H](O)/C=C/C1=CCCCC1
InChIInChI=1S/C18H34O2Si/c1-5-21(6-2,7-3)20-15-16(4)18(19)14-13-17-11-9-8-10-12-17/h11,13-14,16,18-19H,5-10,12,15H2,1-4H3/b14-13+/t16-,18+/m1/s1
InChIKeySMBWOEHURYLHHH-UKBCRRFPSA-N
MW310.55 g/mol
LogP5.06
Rot. Bonds9

About (E,3S,4R)-1-(cyclohexen-1-yl)-4-methyl-5-triethylsilyloxypent-1-en-3-ol

(E,3S,4R)-1-(cyclohexen-1-yl)-4-methyl-5-triethylsilyloxypent-1-en-3-ol (PubChem CID 134945879) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is (E,3S,4R)-1-(cyclohexen-1-yl)-4-methyl-5-triethylsilyloxypent-1-en-3-ol.

Molecular Properties

Compound Name(E,3S,4R)-1-(cyclohexen-1-yl)-4-methyl-5-triethylsilyloxypent-1-en-3-ol
PubChem CID134945879
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name(E,3S,4R)-1-(cyclohexen-1-yl)-4-methyl-5-triethylsilyloxypent-1-en-3-ol
SMILESCC[Si](CC)(CC)OC[C@@H](C)[C@@H](O)/C=C/C1=CCCCC1
InChIInChI=1S/C18H34O2Si/c1-5-21(6-2,7-3)20-15-16(4)18(19)14-13-17-11-9-8-10-12-17/h11,13-14,16,18-19H,5-10,12,15H2,1-4H3/b14-13+/t16-,18+/m1/s1
InChIKeySMBWOEHURYLHHH-UKBCRRFPSA-N
XLogP5.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,3S,4R)-1-(cyclohexen-1-yl)-4-methyl-5-triethylsilyloxypent-1-en-3-ol?
The IUPAC name of (E,3S,4R)-1-(cyclohexen-1-yl)-4-methyl-5-triethylsilyloxypent-1-en-3-ol (CID 134945879) is (E,3S,4R)-1-(cyclohexen-1-yl)-4-methyl-5-triethylsilyloxypent-1-en-3-ol.
What is the SMILES notation for (E,3S,4R)-1-(cyclohexen-1-yl)-4-methyl-5-triethylsilyloxypent-1-en-3-ol?
The canonical SMILES for (E,3S,4R)-1-(cyclohexen-1-yl)-4-methyl-5-triethylsilyloxypent-1-en-3-ol is CC[Si](CC)(CC)OC[C@@H](C)[C@@H](O)/C=C/C1=CCCCC1.
What is the InChIKey of (E,3S,4R)-1-(cyclohexen-1-yl)-4-methyl-5-triethylsilyloxypent-1-en-3-ol?
The InChIKey is SMBWOEHURYLHHH-UKBCRRFPSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-5-21(6-2,7-3)20-15-16(4)18(19)14-13-17-11-9-8-10-12-17/h11,13-14,16,18-19H,5-10,12,15H2,1-4H3/b14-13+/t16-,18+/m1/s1.
What are the key properties of (E,3S,4R)-1-(cyclohexen-1-yl)-4-methyl-5-triethylsilyloxypent-1-en-3-ol?
(E,3S,4R)-1-(cyclohexen-1-yl)-4-methyl-5-triethylsilyloxypent-1-en-3-ol has a molecular weight of 310.55 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S,4R)-1-(cyclohexen-1-yl)-4-methyl-5-triethylsilyloxypent-1-en-3-ol is sourced from PubChem (CID 134945879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).