(7R)-7-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2-methylideneoctan-1-ol

C28H56O3Si2 — CID 57153383

IUPAC(7R)-7-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2-methylideneoctan-1-ol
SMILESC=C(CO)CC(CC[C@@H](C)[C@H]1CCC2C(O[Si](C)(C)C)CCC[C@@]21C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H56O3Si2/c1-21(20-29)19-23(30-33(10,11)27(3,4)5)15-14-22(2)24-16-17-25-26(31-32(7,8)9)13-12-18-28(24,25)6/h22-26,29H,1,12-20H2,2-11H3/t22-,23?,24-,25?,26?,28-/m1/s1
InChIKeyRNDOBKIWZTYRFH-YMHVILEVSA-N
MW496.93 g/mol
LogP8.17
Rot. Bonds11

About (7R)-7-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2-methylideneoctan-1-ol

(7R)-7-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2-methylideneoctan-1-ol (PubChem CID 57153383) has the molecular formula C28H56O3Si2 and a molecular weight of 496.93 g/mol. Its IUPAC name is (7R)-7-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2-methylideneoctan-1-ol.

Molecular Properties

Compound Name(7R)-7-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2-methylideneoctan-1-ol
PubChem CID57153383
Molecular FormulaC28H56O3Si2
Molecular Weight496.93 g/mol
Exact Mass496.38
IUPAC Name(7R)-7-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2-methylideneoctan-1-ol
SMILESC=C(CO)CC(CC[C@@H](C)[C@H]1CCC2C(O[Si](C)(C)C)CCC[C@@]21C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H56O3Si2/c1-21(20-29)19-23(30-33(10,11)27(3,4)5)15-14-22(2)24-16-17-25-26(31-32(7,8)9)13-12-18-28(24,25)6/h22-26,29H,1,12-20H2,2-11H3/t22-,23?,24-,25?,26?,28-/m1/s1
InChIKeyRNDOBKIWZTYRFH-YMHVILEVSA-N
XLogP8.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.93
LogP ≤ 58.17
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (7R)-7-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2-methylideneoctan-1-ol?
The IUPAC name of (7R)-7-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2-methylideneoctan-1-ol (CID 57153383) is (7R)-7-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2-methylideneoctan-1-ol.
What is the SMILES notation for (7R)-7-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2-methylideneoctan-1-ol?
The canonical SMILES for (7R)-7-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2-methylideneoctan-1-ol is C=C(CO)CC(CC[C@@H](C)[C@H]1CCC2C(O[Si](C)(C)C)CCC[C@@]21C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (7R)-7-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2-methylideneoctan-1-ol?
The InChIKey is RNDOBKIWZTYRFH-YMHVILEVSA-N. The full InChI is InChI=1S/C28H56O3Si2/c1-21(20-29)19-23(30-33(10,11)27(3,4)5)15-14-22(2)24-16-17-25-26(31-32(7,8)9)13-12-18-28(24,25)6/h22-26,29H,1,12-20H2,2-11H3/t22-,23?,24-,25?,26?,28-/m1/s1.
What are the key properties of (7R)-7-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2-methylideneoctan-1-ol?
(7R)-7-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2-methylideneoctan-1-ol has a molecular weight of 496.93 g/mol, XLogP of 8.17, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[(1R,7aR)-7a-methyl-4-trimethylsilyloxy-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-4-[tert-butyl(dimethyl)silyl]oxy-2-methylideneoctan-1-ol is sourced from PubChem (CID 57153383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).