(1R,3R,4S,6S,7S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-hydroxypropyl)tricyclo[4.3.0.01,3]nonan-7-ol

C19H36O3Si — CID 46191799

IUPAC(1R,3R,4S,6S,7S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-hydroxypropyl)tricyclo[4.3.0.01,3]nonan-7-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@]12C[C@@]13CC[C@H](O)[C@H]3C[C@@H]2CCCO
InChIInChI=1S/C19H36O3Si/c1-17(2,3)23(4,5)22-13-19-12-18(19)9-8-16(21)15(18)11-14(19)7-6-10-20/h14-16,20-21H,6-13H2,1-5H3/t14-,15+,16-,18+,19+/m0/s1
InChIKeyICTPCWCQCBBVOB-HRAJDOBDSA-N
MW340.58 g/mol
LogP3.95
Rot. Bonds6

About (1R,3R,4S,6S,7S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-hydroxypropyl)tricyclo[4.3.0.01,3]nonan-7-ol

(1R,3R,4S,6S,7S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-hydroxypropyl)tricyclo[4.3.0.01,3]nonan-7-ol (PubChem CID 46191799) has the molecular formula C19H36O3Si and a molecular weight of 340.58 g/mol. Its IUPAC name is (1R,3R,4S,6S,7S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-hydroxypropyl)tricyclo[4.3.0.01,3]nonan-7-ol.

Molecular Properties

Compound Name(1R,3R,4S,6S,7S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-hydroxypropyl)tricyclo[4.3.0.01,3]nonan-7-ol
PubChem CID46191799
Molecular FormulaC19H36O3Si
Molecular Weight340.58 g/mol
Exact Mass340.24
IUPAC Name(1R,3R,4S,6S,7S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-hydroxypropyl)tricyclo[4.3.0.01,3]nonan-7-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@]12C[C@@]13CC[C@H](O)[C@H]3C[C@@H]2CCCO
InChIInChI=1S/C19H36O3Si/c1-17(2,3)23(4,5)22-13-19-12-18(19)9-8-16(21)15(18)11-14(19)7-6-10-20/h14-16,20-21H,6-13H2,1-5H3/t14-,15+,16-,18+,19+/m0/s1
InChIKeyICTPCWCQCBBVOB-HRAJDOBDSA-N
XLogP3.95
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.58
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,4S,6S,7S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-hydroxypropyl)tricyclo[4.3.0.01,3]nonan-7-ol?
The IUPAC name of (1R,3R,4S,6S,7S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-hydroxypropyl)tricyclo[4.3.0.01,3]nonan-7-ol (CID 46191799) is (1R,3R,4S,6S,7S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-hydroxypropyl)tricyclo[4.3.0.01,3]nonan-7-ol.
What is the SMILES notation for (1R,3R,4S,6S,7S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-hydroxypropyl)tricyclo[4.3.0.01,3]nonan-7-ol?
The canonical SMILES for (1R,3R,4S,6S,7S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-hydroxypropyl)tricyclo[4.3.0.01,3]nonan-7-ol is CC(C)(C)[Si](C)(C)OC[C@@]12C[C@@]13CC[C@H](O)[C@H]3C[C@@H]2CCCO.
What is the InChIKey of (1R,3R,4S,6S,7S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-hydroxypropyl)tricyclo[4.3.0.01,3]nonan-7-ol?
The InChIKey is ICTPCWCQCBBVOB-HRAJDOBDSA-N. The full InChI is InChI=1S/C19H36O3Si/c1-17(2,3)23(4,5)22-13-19-12-18(19)9-8-16(21)15(18)11-14(19)7-6-10-20/h14-16,20-21H,6-13H2,1-5H3/t14-,15+,16-,18+,19+/m0/s1.
What are the key properties of (1R,3R,4S,6S,7S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-hydroxypropyl)tricyclo[4.3.0.01,3]nonan-7-ol?
(1R,3R,4S,6S,7S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-hydroxypropyl)tricyclo[4.3.0.01,3]nonan-7-ol has a molecular weight of 340.58 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S,6S,7S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-hydroxypropyl)tricyclo[4.3.0.01,3]nonan-7-ol is sourced from PubChem (CID 46191799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).