(4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylhept-5-ene-1,4-diol

C16H34O3Si — CID 25233717

IUPAC(4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylhept-5-ene-1,4-diol
SMILESCC(C)=C[C@H](O)CC(CO)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si/c1-13(2)10-15(18)11-14(12-17)8-9-19-20(6,7)16(3,4)5/h10,14-15,17-18H,8-9,11-12H2,1-7H3/t14?,15-/m0/s1
InChIKeyCTBJTMSKNQQUOB-LOACHALJSA-N
MW302.53 g/mol
LogP3.72
Rot. Bonds8

About (4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylhept-5-ene-1,4-diol

(4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylhept-5-ene-1,4-diol (PubChem CID 25233717) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is (4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylhept-5-ene-1,4-diol.

Molecular Properties

Compound Name(4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylhept-5-ene-1,4-diol
PubChem CID25233717
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name(4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylhept-5-ene-1,4-diol
SMILESCC(C)=C[C@H](O)CC(CO)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3Si/c1-13(2)10-15(18)11-14(12-17)8-9-19-20(6,7)16(3,4)5/h10,14-15,17-18H,8-9,11-12H2,1-7H3/t14?,15-/m0/s1
InChIKeyCTBJTMSKNQQUOB-LOACHALJSA-N
XLogP3.72
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 53.72
H-Bond Donors ≤ 52
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 (4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylhept-5-ene-1,4-diol?
The IUPAC name of (4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylhept-5-ene-1,4-diol (CID 25233717) is (4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylhept-5-ene-1,4-diol.
What is the SMILES notation for (4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylhept-5-ene-1,4-diol?
The canonical SMILES for (4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylhept-5-ene-1,4-diol is CC(C)=C[C@H](O)CC(CO)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylhept-5-ene-1,4-diol?
The InChIKey is CTBJTMSKNQQUOB-LOACHALJSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-13(2)10-15(18)11-14(12-17)8-9-19-20(6,7)16(3,4)5/h10,14-15,17-18H,8-9,11-12H2,1-7H3/t14?,15-/m0/s1.
What are the key properties of (4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylhept-5-ene-1,4-diol?
(4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylhept-5-ene-1,4-diol has a molecular weight of 302.53 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylhept-5-ene-1,4-diol is sourced from PubChem (CID 25233717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).