[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexen-1-yl]methanol

C16H30O2Si — CID 89472491

IUPAC[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexen-1-yl]methanol
SMILESC=C1[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C(CO)C[C@H]1C
InChIInChI=1S/C16H30O2Si/c1-11-9-14(10-17)13(3)15(12(11)2)18-19(7,8)16(4,5)6/h11,15,17H,2,9-10H2,1,3-8H3/t11-,15+/m1/s1
InChIKeyORUNXSOBNQYQRC-ABAIWWIYSA-N
MW282.50 g/mol
LogP4.28
Rot. Bonds3

About [(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexen-1-yl]methanol

[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexen-1-yl]methanol (PubChem CID 89472491) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is [(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexen-1-yl]methanol.

Molecular Properties

Compound Name[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexen-1-yl]methanol
PubChem CID89472491
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexen-1-yl]methanol
SMILESC=C1[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C(CO)C[C@H]1C
InChIInChI=1S/C16H30O2Si/c1-11-9-14(10-17)13(3)15(12(11)2)18-19(7,8)16(4,5)6/h11,15,17H,2,9-10H2,1,3-8H3/t11-,15+/m1/s1
InChIKeyORUNXSOBNQYQRC-ABAIWWIYSA-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 [(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexen-1-yl]methanol?
The IUPAC name of [(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexen-1-yl]methanol (CID 89472491) is [(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexen-1-yl]methanol.
What is the SMILES notation for [(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexen-1-yl]methanol?
The canonical SMILES for [(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexen-1-yl]methanol is C=C1[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C(CO)C[C@H]1C.
What is the InChIKey of [(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexen-1-yl]methanol?
The InChIKey is ORUNXSOBNQYQRC-ABAIWWIYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-11-9-14(10-17)13(3)15(12(11)2)18-19(7,8)16(4,5)6/h11,15,17H,2,9-10H2,1,3-8H3/t11-,15+/m1/s1.
What are the key properties of [(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexen-1-yl]methanol?
[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexen-1-yl]methanol 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 [(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-methylidenecyclohexen-1-yl]methanol is sourced from PubChem (CID 89472491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).