(2R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol

C14H32O2Si — CID 154722568

IUPAC(2R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol
SMILESC[C@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)C[C@@H](C)O
InChIInChI=1S/C14H32O2Si/c1-11(9-12(2)15)10-13(3)16-17(7,8)14(4,5)6/h11-13,15H,9-10H2,1-8H3/t11-,12+,13+/m0/s1
InChIKeyVAYMAMZYDGTMJO-YNEHKIRRSA-N
MW260.49 g/mol
LogP4.19
Rot. Bonds6

About (2R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol

(2R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol (PubChem CID 154722568) has the molecular formula C14H32O2Si and a molecular weight of 260.49 g/mol. Its IUPAC name is (2R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol.

Molecular Properties

Compound Name(2R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol
PubChem CID154722568
Molecular FormulaC14H32O2Si
Molecular Weight260.49 g/mol
Exact Mass260.22
IUPAC Name(2R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol
SMILESC[C@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)C[C@@H](C)O
InChIInChI=1S/C14H32O2Si/c1-11(9-12(2)15)10-13(3)16-17(7,8)14(4,5)6/h11-13,15H,9-10H2,1-8H3/t11-,12+,13+/m0/s1
InChIKeyVAYMAMZYDGTMJO-YNEHKIRRSA-N
XLogP4.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol
CID 154722508
2-Hexanol, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10376666
(5R)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 11264771
7-[Tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol
CID 59012169
(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 101479286
cis-(1S,2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclopropan-1-ol
CID 101792741
[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 25149731
(2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylheptane-1,5-diol
CID 11437755
trans-(1R,2R)-1-methyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 15315172
trans-(1S,2S)-1-methyl-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 15315173
(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol
CID 101202761
(3R,4R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethyl-1-trimethylsilylhept-1-yn-3-ol
CID 101756872

Frequently Asked Questions

What is the IUPAC name of (2R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol?
The IUPAC name of (2R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol (CID 154722568) is (2R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol.
What is the SMILES notation for (2R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol?
The canonical SMILES for (2R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol is C[C@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)C[C@@H](C)O.
What is the InChIKey of (2R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol?
The InChIKey is VAYMAMZYDGTMJO-YNEHKIRRSA-N. The full InChI is InChI=1S/C14H32O2Si/c1-11(9-12(2)15)10-13(3)16-17(7,8)14(4,5)6/h11-13,15H,9-10H2,1-8H3/t11-,12+,13+/m0/s1.
What are the key properties of (2R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol?
(2R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol has a molecular weight of 260.49 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol is sourced from PubChem (CID 154722568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).