[(1R,3R)-3-[(2S,5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-propan-2-yloctan-2-yl]-2,2,3-trimethylcyclopentyl]methanol

C23H48O2Si — CID 70658160

IUPAC[(1R,3R)-3-[(2S,5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-propan-2-yloctan-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)CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C23H48O2Si/c1-17(2)19(15-21(4,5)26(9,10)25)12-11-18(3)23(8)14-13-20(16-24)22(23,6)7/h17-20,24-25H,11-16H2,1-10H3/t18-,19+,20-,23+/m0/s1
InChIKeyDRDKJIVCNZWLLL-FAKFISEUSA-N
MW384.72 g/mol
LogP6.48
Rot. Bonds9

About [(1R,3R)-3-[(2S,5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-propan-2-yloctan-2-yl]-2,2,3-trimethylcyclopentyl]methanol

[(1R,3R)-3-[(2S,5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-propan-2-yloctan-2-yl]-2,2,3-trimethylcyclopentyl]methanol (PubChem CID 70658160) has the molecular formula C23H48O2Si and a molecular weight of 384.72 g/mol. Its IUPAC name is [(1R,3R)-3-[(2S,5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-propan-2-yloctan-2-yl]-2,2,3-trimethylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,3R)-3-[(2S,5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-propan-2-yloctan-2-yl]-2,2,3-trimethylcyclopentyl]methanol
PubChem CID70658160
Molecular FormulaC23H48O2Si
Molecular Weight384.72 g/mol
Exact Mass384.34
IUPAC Name[(1R,3R)-3-[(2S,5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-propan-2-yloctan-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)CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C23H48O2Si/c1-17(2)19(15-21(4,5)26(9,10)25)12-11-18(3)23(8)14-13-20(16-24)22(23,6)7/h17-20,24-25H,11-16H2,1-10H3/t18-,19+,20-,23+/m0/s1
InChIKeyDRDKJIVCNZWLLL-FAKFISEUSA-N
XLogP6.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.72
LogP ≤ 56.48
H-Bond Donors ≤ 52
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)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-propan-2-yloctan-2-yl]-2,2,3-trimethylcyclopentyl]methanol?
The IUPAC name of [(1R,3R)-3-[(2S,5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-propan-2-yloctan-2-yl]-2,2,3-trimethylcyclopentyl]methanol (CID 70658160) is [(1R,3R)-3-[(2S,5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-propan-2-yloctan-2-yl]-2,2,3-trimethylcyclopentyl]methanol.
What is the SMILES notation for [(1R,3R)-3-[(2S,5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-propan-2-yloctan-2-yl]-2,2,3-trimethylcyclopentyl]methanol?
The canonical SMILES for [(1R,3R)-3-[(2S,5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-propan-2-yloctan-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)CC(C)(C)[Si](C)(C)O.
What is the InChIKey of [(1R,3R)-3-[(2S,5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-propan-2-yloctan-2-yl]-2,2,3-trimethylcyclopentyl]methanol?
The InChIKey is DRDKJIVCNZWLLL-FAKFISEUSA-N. The full InChI is InChI=1S/C23H48O2Si/c1-17(2)19(15-21(4,5)26(9,10)25)12-11-18(3)23(8)14-13-20(16-24)22(23,6)7/h17-20,24-25H,11-16H2,1-10H3/t18-,19+,20-,23+/m0/s1.
What are the key properties of [(1R,3R)-3-[(2S,5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-propan-2-yloctan-2-yl]-2,2,3-trimethylcyclopentyl]methanol?
[(1R,3R)-3-[(2S,5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-propan-2-yloctan-2-yl]-2,2,3-trimethylcyclopentyl]methanol has a molecular weight of 384.72 g/mol, XLogP of 6.48, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-[(2S,5R)-7-[hydroxy(dimethyl)silyl]-7-methyl-5-propan-2-yloctan-2-yl]-2,2,3-trimethylcyclopentyl]methanol is sourced from PubChem (CID 70658160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).