(1R,6S)-3,3-dimethyl-2-oxa-3-silabicyclo[3.3.1]nonan-6-ol

C9H18O2Si — CID 101354321

IUPAC(1R,6S)-3,3-dimethyl-2-oxa-3-silabicyclo[3.3.1]nonan-6-ol
SMILESC[Si]1(C)CC2C[C@@H](CC[C@@H]2O)O1
InChIInChI=1S/C9H18O2Si/c1-12(2)6-7-5-8(11-12)3-4-9(7)10/h7-10H,3-6H2,1-2H3/t7?,8-,9+/m1/s1
InChIKeySOEWCRJKXPEYBQ-ASODMVGOSA-N
MW186.33 g/mol
LogP1.75
Rot. Bonds

About (1R,6S)-3,3-dimethyl-2-oxa-3-silabicyclo[3.3.1]nonan-6-ol

(1R,6S)-3,3-dimethyl-2-oxa-3-silabicyclo[3.3.1]nonan-6-ol (PubChem CID 101354321) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is (1R,6S)-3,3-dimethyl-2-oxa-3-silabicyclo[3.3.1]nonan-6-ol.

Molecular Properties

Compound Name(1R,6S)-3,3-dimethyl-2-oxa-3-silabicyclo[3.3.1]nonan-6-ol
PubChem CID101354321
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name(1R,6S)-3,3-dimethyl-2-oxa-3-silabicyclo[3.3.1]nonan-6-ol
SMILESC[Si]1(C)CC2C[C@@H](CC[C@@H]2O)O1
InChIInChI=1S/C9H18O2Si/c1-12(2)6-7-5-8(11-12)3-4-9(7)10/h7-10H,3-6H2,1-2H3/t7?,8-,9+/m1/s1
InChIKeySOEWCRJKXPEYBQ-ASODMVGOSA-N
XLogP1.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 176685712
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CID 130891181
(1S,2R,5R,6R)-9-oxabicyclo[4.2.1]nonane-2,5-diol
CID 93481856
(2S)-bicyclo[3.2.2]nonan-2-ol
CID 10749279
(2S,3S,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diol
CID 22215815
2-methoxy-4-(oxiran-2-yl)cyclohexan-1-ol
CID 23118753
(1R,2R,5R)-bicyclo[3.1.0]hexan-2-ol
CID 124541760
(2S)-bicyclo[3.1.0]hexan-2-ol
CID 145089467
trans-(1R,3R)-2-aminocyclopentane-1,3-diol
CID 11768778
cyclohexane-1,2,3,4-tetrol;methanol
CID 70613200
cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol
CID 59686945
trans-(1R,2R)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)cyclopentan-1-ol
CID 102733763

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-3,3-dimethyl-2-oxa-3-silabicyclo[3.3.1]nonan-6-ol?
The IUPAC name of (1R,6S)-3,3-dimethyl-2-oxa-3-silabicyclo[3.3.1]nonan-6-ol (CID 101354321) is (1R,6S)-3,3-dimethyl-2-oxa-3-silabicyclo[3.3.1]nonan-6-ol.
What is the SMILES notation for (1R,6S)-3,3-dimethyl-2-oxa-3-silabicyclo[3.3.1]nonan-6-ol?
The canonical SMILES for (1R,6S)-3,3-dimethyl-2-oxa-3-silabicyclo[3.3.1]nonan-6-ol is C[Si]1(C)CC2C[C@@H](CC[C@@H]2O)O1.
What is the InChIKey of (1R,6S)-3,3-dimethyl-2-oxa-3-silabicyclo[3.3.1]nonan-6-ol?
The InChIKey is SOEWCRJKXPEYBQ-ASODMVGOSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-12(2)6-7-5-8(11-12)3-4-9(7)10/h7-10H,3-6H2,1-2H3/t7?,8-,9+/m1/s1.
What are the key properties of (1R,6S)-3,3-dimethyl-2-oxa-3-silabicyclo[3.3.1]nonan-6-ol?
(1R,6S)-3,3-dimethyl-2-oxa-3-silabicyclo[3.3.1]nonan-6-ol has a molecular weight of 186.33 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-3,3-dimethyl-2-oxa-3-silabicyclo[3.3.1]nonan-6-ol is sourced from PubChem (CID 101354321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).