(3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol

C16H32O2Si — CID 11119640

IUPAC(3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol
SMILESC[Si](C)(C)C[C@@H]1CCC2(CCCC2)[C@]1(O)CCCO
InChIInChI=1S/C16H32O2Si/c1-19(2,3)13-14-7-11-15(8-4-5-9-15)16(14,18)10-6-12-17/h14,17-18H,4-13H2,1-3H3/t14-,16-/m0/s1
InChIKeyLOHAHQXGTKNOBK-HOCLYGCPSA-N
MW284.52 g/mol
LogP3.80
Rot. Bonds5

About (3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol

(3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol (PubChem CID 11119640) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol.

Molecular Properties

Compound Name(3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol
PubChem CID11119640
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol
SMILESC[Si](C)(C)C[C@@H]1CCC2(CCCC2)[C@]1(O)CCCO
InChIInChI=1S/C16H32O2Si/c1-19(2,3)13-14-7-11-15(8-4-5-9-15)16(14,18)10-6-12-17/h14,17-18H,4-13H2,1-3H3/t14-,16-/m0/s1
InChIKeyLOHAHQXGTKNOBK-HOCLYGCPSA-N
XLogP3.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 53.80
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 (3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol?
The IUPAC name of (3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol (CID 11119640) is (3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol.
What is the SMILES notation for (3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol?
The canonical SMILES for (3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol is C[Si](C)(C)C[C@@H]1CCC2(CCCC2)[C@]1(O)CCCO.
What is the InChIKey of (3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol?
The InChIKey is LOHAHQXGTKNOBK-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-19(2,3)13-14-7-11-15(8-4-5-9-15)16(14,18)10-6-12-17/h14,17-18H,4-13H2,1-3H3/t14-,16-/m0/s1.
What are the key properties of (3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol?
(3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol has a molecular weight of 284.52 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(3-hydroxypropyl)-3-(trimethylsilylmethyl)spiro[4.4]nonan-4-ol is sourced from PubChem (CID 11119640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).