(1S,2R)-1-ethyl-5-tri(propan-2-yl)silyloxycyclohex-4-ene-1,2-diol

C17H34O3Si — CID 53329014

IUPAC(1S,2R)-1-ethyl-5-tri(propan-2-yl)silyloxycyclohex-4-ene-1,2-diol
SMILESCC[C@]1(O)CC(O[Si](C(C)C)(C(C)C)C(C)C)=CC[C@H]1O
InChIInChI=1S/C17H34O3Si/c1-8-17(19)11-15(9-10-16(17)18)20-21(12(2)3,13(4)5)14(6)7/h9,12-14,16,18-19H,8,10-11H2,1-7H3/t16-,17+/m1/s1
InChIKeyGVMNAKVFFYVPAL-SJORKVTESA-N
MW314.54 g/mol
LogP4.36
Rot. Bonds6

About (1S,2R)-1-ethyl-5-tri(propan-2-yl)silyloxycyclohex-4-ene-1,2-diol

(1S,2R)-1-ethyl-5-tri(propan-2-yl)silyloxycyclohex-4-ene-1,2-diol (PubChem CID 53329014) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is (1S,2R)-1-ethyl-5-tri(propan-2-yl)silyloxycyclohex-4-ene-1,2-diol.

Molecular Properties

Compound Name(1S,2R)-1-ethyl-5-tri(propan-2-yl)silyloxycyclohex-4-ene-1,2-diol
PubChem CID53329014
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Name(1S,2R)-1-ethyl-5-tri(propan-2-yl)silyloxycyclohex-4-ene-1,2-diol
SMILESCC[C@]1(O)CC(O[Si](C(C)C)(C(C)C)C(C)C)=CC[C@H]1O
InChIInChI=1S/C17H34O3Si/c1-8-17(19)11-15(9-10-16(17)18)20-21(12(2)3,13(4)5)14(6)7/h9,12-14,16,18-19H,8,10-11H2,1-7H3/t16-,17+/m1/s1
InChIKeyGVMNAKVFFYVPAL-SJORKVTESA-N
XLogP4.36
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (1S,2R)-1-ethyl-5-tri(propan-2-yl)silyloxycyclohex-4-ene-1,2-diol?
The IUPAC name of (1S,2R)-1-ethyl-5-tri(propan-2-yl)silyloxycyclohex-4-ene-1,2-diol (CID 53329014) is (1S,2R)-1-ethyl-5-tri(propan-2-yl)silyloxycyclohex-4-ene-1,2-diol.
What is the SMILES notation for (1S,2R)-1-ethyl-5-tri(propan-2-yl)silyloxycyclohex-4-ene-1,2-diol?
The canonical SMILES for (1S,2R)-1-ethyl-5-tri(propan-2-yl)silyloxycyclohex-4-ene-1,2-diol is CC[C@]1(O)CC(O[Si](C(C)C)(C(C)C)C(C)C)=CC[C@H]1O.
What is the InChIKey of (1S,2R)-1-ethyl-5-tri(propan-2-yl)silyloxycyclohex-4-ene-1,2-diol?
The InChIKey is GVMNAKVFFYVPAL-SJORKVTESA-N. The full InChI is InChI=1S/C17H34O3Si/c1-8-17(19)11-15(9-10-16(17)18)20-21(12(2)3,13(4)5)14(6)7/h9,12-14,16,18-19H,8,10-11H2,1-7H3/t16-,17+/m1/s1.
What are the key properties of (1S,2R)-1-ethyl-5-tri(propan-2-yl)silyloxycyclohex-4-ene-1,2-diol?
(1S,2R)-1-ethyl-5-tri(propan-2-yl)silyloxycyclohex-4-ene-1,2-diol has a molecular weight of 314.54 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-ethyl-5-tri(propan-2-yl)silyloxycyclohex-4-ene-1,2-diol is sourced from PubChem (CID 53329014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).