(5S,6S)-6-cyclohexyl-3-hexyl-5-(methoxymethoxy)-2,2-dimethyl-5,6-dihydrooxasiline

C20H38O3Si — CID 15483580

IUPAC(5S,6S)-6-cyclohexyl-3-hexyl-5-(methoxymethoxy)-2,2-dimethyl-5,6-dihydrooxasiline
SMILESCCCCCCC1=C[C@H](OCOC)[C@H](C2CCCCC2)O[Si]1(C)C
InChIInChI=1S/C20H38O3Si/c1-5-6-7-11-14-18-15-19(22-16-21-2)20(23-24(18,3)4)17-12-9-8-10-13-17/h15,17,19-20H,5-14,16H2,1-4H3/t19-,20-/m0/s1
InChIKeyDIIWOVGYRHHJDC-PMACEKPBSA-N
MW354.61 g/mol
LogP5.60
Rot. Bonds9

About (5S,6S)-6-cyclohexyl-3-hexyl-5-(methoxymethoxy)-2,2-dimethyl-5,6-dihydrooxasiline

(5S,6S)-6-cyclohexyl-3-hexyl-5-(methoxymethoxy)-2,2-dimethyl-5,6-dihydrooxasiline (PubChem CID 15483580) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is (5S,6S)-6-cyclohexyl-3-hexyl-5-(methoxymethoxy)-2,2-dimethyl-5,6-dihydrooxasiline.

Molecular Properties

Compound Name(5S,6S)-6-cyclohexyl-3-hexyl-5-(methoxymethoxy)-2,2-dimethyl-5,6-dihydrooxasiline
PubChem CID15483580
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Name(5S,6S)-6-cyclohexyl-3-hexyl-5-(methoxymethoxy)-2,2-dimethyl-5,6-dihydrooxasiline
SMILESCCCCCCC1=C[C@H](OCOC)[C@H](C2CCCCC2)O[Si]1(C)C
InChIInChI=1S/C20H38O3Si/c1-5-6-7-11-14-18-15-19(22-16-21-2)20(23-24(18,3)4)17-12-9-8-10-13-17/h15,17,19-20H,5-14,16H2,1-4H3/t19-,20-/m0/s1
InChIKeyDIIWOVGYRHHJDC-PMACEKPBSA-N
XLogP5.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6-cyclohexyl-3-hexyl-5-(methoxymethoxy)-2,2-dimethyl-5,6-dihydrooxasiline?
The IUPAC name of (5S,6S)-6-cyclohexyl-3-hexyl-5-(methoxymethoxy)-2,2-dimethyl-5,6-dihydrooxasiline (CID 15483580) is (5S,6S)-6-cyclohexyl-3-hexyl-5-(methoxymethoxy)-2,2-dimethyl-5,6-dihydrooxasiline.
What is the SMILES notation for (5S,6S)-6-cyclohexyl-3-hexyl-5-(methoxymethoxy)-2,2-dimethyl-5,6-dihydrooxasiline?
The canonical SMILES for (5S,6S)-6-cyclohexyl-3-hexyl-5-(methoxymethoxy)-2,2-dimethyl-5,6-dihydrooxasiline is CCCCCCC1=C[C@H](OCOC)[C@H](C2CCCCC2)O[Si]1(C)C.
What is the InChIKey of (5S,6S)-6-cyclohexyl-3-hexyl-5-(methoxymethoxy)-2,2-dimethyl-5,6-dihydrooxasiline?
The InChIKey is DIIWOVGYRHHJDC-PMACEKPBSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-5-6-7-11-14-18-15-19(22-16-21-2)20(23-24(18,3)4)17-12-9-8-10-13-17/h15,17,19-20H,5-14,16H2,1-4H3/t19-,20-/m0/s1.
What are the key properties of (5S,6S)-6-cyclohexyl-3-hexyl-5-(methoxymethoxy)-2,2-dimethyl-5,6-dihydrooxasiline?
(5S,6S)-6-cyclohexyl-3-hexyl-5-(methoxymethoxy)-2,2-dimethyl-5,6-dihydrooxasiline has a molecular weight of 354.61 g/mol, XLogP of 5.60, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-cyclohexyl-3-hexyl-5-(methoxymethoxy)-2,2-dimethyl-5,6-dihydrooxasiline is sourced from PubChem (CID 15483580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).