(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol

C16H30O2Si — CID 135026330

IUPAC(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1C[C@@H](O)C(=C)[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H30O2Si/c1-11(2)13-9-14(17)12(3)15(10-13)18-19(7,8)16(4,5)6/h13-15,17H,1,3,9-10H2,2,4-8H3/t13-,14-,15-/m1/s1
InChIKeyOBEMHTLZWGWSFR-RBSFLKMASA-N
MW282.50 g/mol
LogP4.28
Rot. Bonds3

About (1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol

(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 135026330) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID135026330
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1C[C@@H](O)C(=C)[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C16H30O2Si/c1-11(2)13-9-14(17)12(3)15(10-13)18-19(7,8)16(4,5)6/h13-15,17H,1,3,9-10H2,2,4-8H3/t13-,14-,15-/m1/s1
InChIKeyOBEMHTLZWGWSFR-RBSFLKMASA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of (1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol (CID 135026330) is (1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for (1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)[C@@H]1C[C@@H](O)C(=C)[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is OBEMHTLZWGWSFR-RBSFLKMASA-N. The full InChI is InChI=1S/C16H30O2Si/c1-11(2)13-9-14(17)12(3)15(10-13)18-19(7,8)16(4,5)6/h13-15,17H,1,3,9-10H2,2,4-8H3/t13-,14-,15-/m1/s1.
What are the key properties of (1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol?
(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 282.50 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 135026330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).