(3S,4S)-2-ethoxy-4-tri(propan-2-yl)silyloxypent-1-en-3-ol

C16H34O3Si — CID 11098695

IUPAC(3S,4S)-2-ethoxy-4-tri(propan-2-yl)silyloxypent-1-en-3-ol
SMILESC=C(OCC)[C@@H](O)[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H34O3Si/c1-10-18-14(8)16(17)15(9)19-20(11(2)3,12(4)5)13(6)7/h11-13,15-17H,8,10H2,1-7,9H3/t15-,16+/m0/s1
InChIKeyXQRIJPMQFLMGHA-JKSUJKDBSA-N
MW302.53 g/mol
LogP4.48
Rot. Bonds9

About (3S,4S)-2-ethoxy-4-tri(propan-2-yl)silyloxypent-1-en-3-ol

(3S,4S)-2-ethoxy-4-tri(propan-2-yl)silyloxypent-1-en-3-ol (PubChem CID 11098695) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is (3S,4S)-2-ethoxy-4-tri(propan-2-yl)silyloxypent-1-en-3-ol.

Molecular Properties

Compound Name(3S,4S)-2-ethoxy-4-tri(propan-2-yl)silyloxypent-1-en-3-ol
PubChem CID11098695
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name(3S,4S)-2-ethoxy-4-tri(propan-2-yl)silyloxypent-1-en-3-ol
SMILESC=C(OCC)[C@@H](O)[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H34O3Si/c1-10-18-14(8)16(17)15(9)19-20(11(2)3,12(4)5)13(6)7/h11-13,15-17H,8,10H2,1-7,9H3/t15-,16+/m0/s1
InChIKeyXQRIJPMQFLMGHA-JKSUJKDBSA-N
XLogP4.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-2-ethoxy-4-tri(propan-2-yl)silyloxypent-1-en-3-ol?
The IUPAC name of (3S,4S)-2-ethoxy-4-tri(propan-2-yl)silyloxypent-1-en-3-ol (CID 11098695) is (3S,4S)-2-ethoxy-4-tri(propan-2-yl)silyloxypent-1-en-3-ol.
What is the SMILES notation for (3S,4S)-2-ethoxy-4-tri(propan-2-yl)silyloxypent-1-en-3-ol?
The canonical SMILES for (3S,4S)-2-ethoxy-4-tri(propan-2-yl)silyloxypent-1-en-3-ol is C=C(OCC)[C@@H](O)[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3S,4S)-2-ethoxy-4-tri(propan-2-yl)silyloxypent-1-en-3-ol?
The InChIKey is XQRIJPMQFLMGHA-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-10-18-14(8)16(17)15(9)19-20(11(2)3,12(4)5)13(6)7/h11-13,15-17H,8,10H2,1-7,9H3/t15-,16+/m0/s1.
What are the key properties of (3S,4S)-2-ethoxy-4-tri(propan-2-yl)silyloxypent-1-en-3-ol?
(3S,4S)-2-ethoxy-4-tri(propan-2-yl)silyloxypent-1-en-3-ol has a molecular weight of 302.53 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-2-ethoxy-4-tri(propan-2-yl)silyloxypent-1-en-3-ol is sourced from PubChem (CID 11098695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).