[(1R,3R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol

C23H48O2Si — CID 59264421

IUPAC[(1R,3R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol
SMILESCC(C)[C@@H](CC[C@H](C)[C@@]1(C)CC[C@@H](CO)C1(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O2Si/c1-17(2)20(25-26(10,11)21(4,5)6)13-12-18(3)23(9)15-14-19(16-24)22(23,7)8/h17-20,24H,12-16H2,1-11H3/t18-,19-,20+,23+/m0/s1
InChIKeyDVNNZIRFMOKOLZ-XFGYDDDFSA-N
MW384.72 g/mol
LogP6.88
Rot. Bonds8

About [(1R,3R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol

[(1R,3R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol (PubChem CID 59264421) has the molecular formula C23H48O2Si and a molecular weight of 384.72 g/mol. Its IUPAC name is [(1R,3R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,3R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol
PubChem CID59264421
Molecular FormulaC23H48O2Si
Molecular Weight384.72 g/mol
Exact Mass384.34
IUPAC Name[(1R,3R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol
SMILESCC(C)[C@@H](CC[C@H](C)[C@@]1(C)CC[C@@H](CO)C1(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O2Si/c1-17(2)20(25-26(10,11)21(4,5)6)13-12-18(3)23(9)15-14-19(16-24)22(23,7)8/h17-20,24H,12-16H2,1-11H3/t18-,19-,20+,23+/m0/s1
InChIKeyDVNNZIRFMOKOLZ-XFGYDDDFSA-N
XLogP6.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.72
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol?
The IUPAC name of [(1R,3R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol (CID 59264421) is [(1R,3R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol.
What is the SMILES notation for [(1R,3R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol?
The canonical SMILES for [(1R,3R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol is CC(C)[C@@H](CC[C@H](C)[C@@]1(C)CC[C@@H](CO)C1(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1R,3R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol?
The InChIKey is DVNNZIRFMOKOLZ-XFGYDDDFSA-N. The full InChI is InChI=1S/C23H48O2Si/c1-17(2)20(25-26(10,11)21(4,5)6)13-12-18(3)23(9)15-14-19(16-24)22(23,7)8/h17-20,24H,12-16H2,1-11H3/t18-,19-,20+,23+/m0/s1.
What are the key properties of [(1R,3R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol?
[(1R,3R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol has a molecular weight of 384.72 g/mol, XLogP of 6.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylheptan-2-yl]-2,2,3-trimethylcyclopentyl]methanol is sourced from PubChem (CID 59264421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).