(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-ol

C16H30O3Si — CID 12046142

IUPAC(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-ol
SMILESC=C(CO)[C@@]1(O)C=C(C)CC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-12-8-9-14(16(18,10-12)13(2)11-17)19-20(6,7)15(3,4)5/h10,14,17-18H,2,8-9,11H2,1,3-7H3/t14-,16+/m1/s1
InChIKeyMIIVNZYYZAVNRR-ZBFHGGJFSA-N
MW298.50 g/mol
LogP3.40
Rot. Bonds4

About (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-ol

(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-ol (PubChem CID 12046142) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-ol
PubChem CID12046142
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-ol
SMILESC=C(CO)[C@@]1(O)C=C(C)CC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-12-8-9-14(16(18,10-12)13(2)11-17)19-20(6,7)15(3,4)5/h10,14,17-18H,2,8-9,11H2,1,3-7H3/t14-,16+/m1/s1
InChIKeyMIIVNZYYZAVNRR-ZBFHGGJFSA-N
XLogP3.40
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.40
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 (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-ol?
The IUPAC name of (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-ol (CID 12046142) is (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-ol.
What is the SMILES notation for (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-ol?
The canonical SMILES for (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-ol is C=C(CO)[C@@]1(O)C=C(C)CC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-ol?
The InChIKey is MIIVNZYYZAVNRR-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-12-8-9-14(16(18,10-12)13(2)11-17)19-20(6,7)15(3,4)5/h10,14,17-18H,2,8-9,11H2,1,3-7H3/t14-,16+/m1/s1.
What are the key properties of (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-ol?
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-ol has a molecular weight of 298.50 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-1-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 12046142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).