(3R,6R,10S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[4.3.1.03,10]dec-1-ene-2-carbaldehyde

C18H30O2Si — CID 46873692

IUPAC(3R,6R,10S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[4.3.1.03,10]dec-1-ene-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@]12CCCC3=C(C=O)[C@H](CC1)[C@@H]32
InChIInChI=1S/C18H30O2Si/c1-17(2,3)21(4,5)20-12-18-9-6-7-13-15(11-19)14(8-10-18)16(13)18/h11,14,16H,6-10,12H2,1-5H3/t14-,16+,18-/m0/s1
InChIKeyNVLDDZZADYNGTO-LESCRADOSA-N
MW306.52 g/mol
LogP4.71
Rot. Bonds4

About (3R,6R,10S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[4.3.1.03,10]dec-1-ene-2-carbaldehyde

(3R,6R,10S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[4.3.1.03,10]dec-1-ene-2-carbaldehyde (PubChem CID 46873692) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is (3R,6R,10S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[4.3.1.03,10]dec-1-ene-2-carbaldehyde.

Molecular Properties

Compound Name(3R,6R,10S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[4.3.1.03,10]dec-1-ene-2-carbaldehyde
PubChem CID46873692
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name(3R,6R,10S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[4.3.1.03,10]dec-1-ene-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@]12CCCC3=C(C=O)[C@H](CC1)[C@@H]32
InChIInChI=1S/C18H30O2Si/c1-17(2,3)21(4,5)20-12-18-9-6-7-13-15(11-19)14(8-10-18)16(13)18/h11,14,16H,6-10,12H2,1-5H3/t14-,16+,18-/m0/s1
InChIKeyNVLDDZZADYNGTO-LESCRADOSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,6R,10S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[4.3.1.03,10]dec-1-ene-2-carbaldehyde?
The IUPAC name of (3R,6R,10S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[4.3.1.03,10]dec-1-ene-2-carbaldehyde (CID 46873692) is (3R,6R,10S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[4.3.1.03,10]dec-1-ene-2-carbaldehyde.
What is the SMILES notation for (3R,6R,10S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[4.3.1.03,10]dec-1-ene-2-carbaldehyde?
The canonical SMILES for (3R,6R,10S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[4.3.1.03,10]dec-1-ene-2-carbaldehyde is CC(C)(C)[Si](C)(C)OC[C@]12CCCC3=C(C=O)[C@H](CC1)[C@@H]32.
What is the InChIKey of (3R,6R,10S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[4.3.1.03,10]dec-1-ene-2-carbaldehyde?
The InChIKey is NVLDDZZADYNGTO-LESCRADOSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-17(2,3)21(4,5)20-12-18-9-6-7-13-15(11-19)14(8-10-18)16(13)18/h11,14,16H,6-10,12H2,1-5H3/t14-,16+,18-/m0/s1.
What are the key properties of (3R,6R,10S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[4.3.1.03,10]dec-1-ene-2-carbaldehyde?
(3R,6R,10S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[4.3.1.03,10]dec-1-ene-2-carbaldehyde has a molecular weight of 306.52 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R,10S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]tricyclo[4.3.1.03,10]dec-1-ene-2-carbaldehyde is sourced from PubChem (CID 46873692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).