(6S)-1,5,6-trimethyl-6-trimethylsilyloxy-18-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosan-17-one

C26H44O3Si — CID 6431267

IUPAC(6S)-1,5,6-trimethyl-6-trimethylsilyloxy-18-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosan-17-one
SMILESCC12CC3COC(=O)CC3CC1CCC1C2CCC2(C)C1CC[C@]2(C)O[Si](C)(C)C
InChIInChI=1S/C26H44O3Si/c1-24-15-18-16-28-23(27)14-17(18)13-19(24)7-8-20-21(24)9-11-25(2)22(20)10-12-26(25,3)29-30(4,5)6/h17-22H,7-16H2,1-6H3/t17?,18?,19?,20?,21?,22?,24?,25?,26-/m0/s1
InChIKeyYFPQNKZZKNAAJO-QXKFTYLJSA-N
MW432.72 g/mol
LogP6.43
Rot. Bonds2

About (6S)-1,5,6-trimethyl-6-trimethylsilyloxy-18-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosan-17-one

(6S)-1,5,6-trimethyl-6-trimethylsilyloxy-18-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosan-17-one (PubChem CID 6431267) has the molecular formula C26H44O3Si and a molecular weight of 432.72 g/mol. Its IUPAC name is (6S)-1,5,6-trimethyl-6-trimethylsilyloxy-18-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosan-17-one.

Molecular Properties

Compound Name(6S)-1,5,6-trimethyl-6-trimethylsilyloxy-18-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosan-17-one
PubChem CID6431267
Molecular FormulaC26H44O3Si
Molecular Weight432.72 g/mol
Exact Mass432.31
IUPAC Name(6S)-1,5,6-trimethyl-6-trimethylsilyloxy-18-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosan-17-one
SMILESCC12CC3COC(=O)CC3CC1CCC1C2CCC2(C)C1CC[C@]2(C)O[Si](C)(C)C
InChIInChI=1S/C26H44O3Si/c1-24-15-18-16-28-23(27)14-17(18)13-19(24)7-8-20-21(24)9-11-25(2)22(20)10-12-26(25,3)29-30(4,5)6/h17-22H,7-16H2,1-6H3/t17?,18?,19?,20?,21?,22?,24?,25?,26-/m0/s1
InChIKeyYFPQNKZZKNAAJO-QXKFTYLJSA-N
XLogP6.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.72
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6S)-1,5,6-trimethyl-6-trimethylsilyloxy-18-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosan-17-one with MolForge

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Launch Full Analysis

Related Compounds

(1R,3aS,3bR,5aS,9aS,9bS,11aS)-1,9a,11a-trimethyl-1-trimethylsilyloxy-2,3,3a,3b,4,5,5a,6,9,9b,10,11-dodecahydroindeno[4,5-h]isochromen-7-one
CID 15706072
trimethyl-[[(8R,9S,10S,13S,14S)-10,13,17-trimethyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
CID 57372677
trimethyl-[[(3R,5R,17R)-10,13,17-trimethyl-3-trimethylsilyloxy-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
CID 6429855
[(1R,3aS,3bR,5aR,9aS,9bS,11aS)-1,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,6,9,9b,10,11-dodecahydroindeno[4,5-h]isochromen-1-yl] acetate
CID 76969708
4-[(5S,8R,9S,10S,13S,14R,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-one
CID 91370794
(4R)-4-[(8R,9S,10S,13S,14R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-one
CID 152743413
trimethyl-[[(3S,5R,10R,13S,17R)-10,13,17-trimethyl-3-trimethylsilyloxy-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
CID 91748442
[(8R,9R,10S,13S,14S)-2-bromo-10,13,17-trimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
CID 67872141
2',16'-dimethylspiro[1,3-dioxolane-2,15'-5-oxatetracyclo[9.7.0.02,8.012,16]octadecane]-6'-one
CID 76731993
(1'S,2'S,8'S,11'R,12'S,16'S)-2',16'-dimethylspiro[1,3-dioxolane-2,15'-5-oxatetracyclo[9.7.0.02,8.012,16]octadecane]-6'-one;(1'S,2'R,8'R,11'R,12'S,16'S)-2',16'-dimethylspiro[1,3-dioxolane-2,15'-6-oxatetracyclo[9.7.0.02,8.012,16]octadecane]-5'-one
CID 159517132
(10,13,17-trimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate
CID 540888
[(5S,8R,9R,10S,13S,14S,17S)-10,13,17-trimethyl-3-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
CID 11875947

Frequently Asked Questions

What is the IUPAC name of (6S)-1,5,6-trimethyl-6-trimethylsilyloxy-18-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosan-17-one?
The IUPAC name of (6S)-1,5,6-trimethyl-6-trimethylsilyloxy-18-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosan-17-one (CID 6431267) is (6S)-1,5,6-trimethyl-6-trimethylsilyloxy-18-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosan-17-one.
What is the SMILES notation for (6S)-1,5,6-trimethyl-6-trimethylsilyloxy-18-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosan-17-one?
The canonical SMILES for (6S)-1,5,6-trimethyl-6-trimethylsilyloxy-18-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosan-17-one is CC12CC3COC(=O)CC3CC1CCC1C2CCC2(C)C1CC[C@]2(C)O[Si](C)(C)C.
What is the InChIKey of (6S)-1,5,6-trimethyl-6-trimethylsilyloxy-18-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosan-17-one?
The InChIKey is YFPQNKZZKNAAJO-QXKFTYLJSA-N. The full InChI is InChI=1S/C26H44O3Si/c1-24-15-18-16-28-23(27)14-17(18)13-19(24)7-8-20-21(24)9-11-25(2)22(20)10-12-26(25,3)29-30(4,5)6/h17-22H,7-16H2,1-6H3/t17?,18?,19?,20?,21?,22?,24?,25?,26-/m0/s1.
What are the key properties of (6S)-1,5,6-trimethyl-6-trimethylsilyloxy-18-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosan-17-one?
(6S)-1,5,6-trimethyl-6-trimethylsilyloxy-18-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosan-17-one has a molecular weight of 432.72 g/mol, XLogP of 6.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1,5,6-trimethyl-6-trimethylsilyloxy-18-oxapentacyclo[11.8.0.02,10.05,9.015,20]henicosan-17-one is sourced from PubChem (CID 6431267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).