[(1S,2R,4aS,5R)-2,5-dimethyl-5-(4-methylpent-4-enyl)-1-[2-(oxan-2-yloxy)ethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane

C32H58O3Si — CID 11081892

IUPAC[(1S,2R,4aS,5R)-2,5-dimethyl-5-(4-methylpent-4-enyl)-1-[2-(oxan-2-yloxy)ethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C(C)CCC[C@]1(C)CCC=C2[C@H]1CC[C@@H](C)[C@]2(CCOC1CCCCO1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H58O3Si/c1-25(2)14-12-19-31(7)20-13-15-28-27(31)18-17-26(3)32(28,24-35-36(8,9)30(4,5)6)21-23-34-29-16-10-11-22-33-29/h15,26-27,29H,1,10-14,16-24H2,2-9H3/t26-,27-,29?,31-,32+/m1/s1
InChIKeyFHSOZMWXMAOGMO-MIFUGBQZSA-N
MW518.90 g/mol
LogP9.45
Rot. Bonds11

About [(1S,2R,4aS,5R)-2,5-dimethyl-5-(4-methylpent-4-enyl)-1-[2-(oxan-2-yloxy)ethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane

[(1S,2R,4aS,5R)-2,5-dimethyl-5-(4-methylpent-4-enyl)-1-[2-(oxan-2-yloxy)ethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 11081892) has the molecular formula C32H58O3Si and a molecular weight of 518.90 g/mol. Its IUPAC name is [(1S,2R,4aS,5R)-2,5-dimethyl-5-(4-methylpent-4-enyl)-1-[2-(oxan-2-yloxy)ethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,2R,4aS,5R)-2,5-dimethyl-5-(4-methylpent-4-enyl)-1-[2-(oxan-2-yloxy)ethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID11081892
Molecular FormulaC32H58O3Si
Molecular Weight518.90 g/mol
Exact Mass518.42
IUPAC Name[(1S,2R,4aS,5R)-2,5-dimethyl-5-(4-methylpent-4-enyl)-1-[2-(oxan-2-yloxy)ethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C(C)CCC[C@]1(C)CCC=C2[C@H]1CC[C@@H](C)[C@]2(CCOC1CCCCO1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H58O3Si/c1-25(2)14-12-19-31(7)20-13-15-28-27(31)18-17-26(3)32(28,24-35-36(8,9)30(4,5)6)21-23-34-29-16-10-11-22-33-29/h15,26-27,29H,1,10-14,16-24H2,2-9H3/t26-,27-,29?,31-,32+/m1/s1
InChIKeyFHSOZMWXMAOGMO-MIFUGBQZSA-N
XLogP9.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.90
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Oxacholesterol trimethylsilyl ether
CID 129725313
24-t-Butyldimethylsilyloxy-3betatetrahydropyranyloxychol-5-ene
CID 9985234
tert-butyl-[(4S)-4-[(3S,10R,13R,17R)-10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentoxy]-dimethylsilane
CID 60044555
[(1S,2R,5S,8aR)-2,5-dimethyl-5-(4-methylpent-4-enyl)-1-[2-(oxan-2-yloxy)ethyl]-2,3,6,7,8,8a-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
CID 10744497
[(1S,2S,4aS,5R)-2,5-dimethyl-5-(4-methylpent-4-enyl)-1-[2-(oxan-2-yloxy)ethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane
CID 10918355
2-[2-[(1R,2R,4aS,5R)-1,2,5-trimethyl-5-(4-methylpent-4-enyl)-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethoxy]oxane
CID 11176740
[(1R,4aR,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6-dimethyl-5-[2-(oxan-2-yloxy)ethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]methanol
CID 11798448
3-[(1S,4aR,5S,6R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6-dimethyl-5-[2-(oxan-2-yloxy)ethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]propan-1-ol
CID 11827124
tert-butyl-[[(3S,8R,9S,10R,13S,14S,15R,17Z)-17-ethylidene-10,13-dimethyl-15-[4-(oxan-2-yloxy)butyl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane
CID 23250182

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4aS,5R)-2,5-dimethyl-5-(4-methylpent-4-enyl)-1-[2-(oxan-2-yloxy)ethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,2R,4aS,5R)-2,5-dimethyl-5-(4-methylpent-4-enyl)-1-[2-(oxan-2-yloxy)ethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane (CID 11081892) is [(1S,2R,4aS,5R)-2,5-dimethyl-5-(4-methylpent-4-enyl)-1-[2-(oxan-2-yloxy)ethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,2R,4aS,5R)-2,5-dimethyl-5-(4-methylpent-4-enyl)-1-[2-(oxan-2-yloxy)ethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,2R,4aS,5R)-2,5-dimethyl-5-(4-methylpent-4-enyl)-1-[2-(oxan-2-yloxy)ethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane is C=C(C)CCC[C@]1(C)CCC=C2[C@H]1CC[C@@H](C)[C@]2(CCOC1CCCCO1)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1S,2R,4aS,5R)-2,5-dimethyl-5-(4-methylpent-4-enyl)-1-[2-(oxan-2-yloxy)ethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is FHSOZMWXMAOGMO-MIFUGBQZSA-N. The full InChI is InChI=1S/C32H58O3Si/c1-25(2)14-12-19-31(7)20-13-15-28-27(31)18-17-26(3)32(28,24-35-36(8,9)30(4,5)6)21-23-34-29-16-10-11-22-33-29/h15,26-27,29H,1,10-14,16-24H2,2-9H3/t26-,27-,29?,31-,32+/m1/s1.
What are the key properties of [(1S,2R,4aS,5R)-2,5-dimethyl-5-(4-methylpent-4-enyl)-1-[2-(oxan-2-yloxy)ethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane?
[(1S,2R,4aS,5R)-2,5-dimethyl-5-(4-methylpent-4-enyl)-1-[2-(oxan-2-yloxy)ethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 518.90 g/mol, XLogP of 9.45, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4aS,5R)-2,5-dimethyl-5-(4-methylpent-4-enyl)-1-[2-(oxan-2-yloxy)ethyl]-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11081892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).