(3R,3aR,7aS)-6,6,7a-trimethyl-3-trimethylsilyloxy-1,2,3,3a,5,7-hexahydroinden-4-one

C15H28O2Si — CID 101029179

IUPAC(3R,3aR,7aS)-6,6,7a-trimethyl-3-trimethylsilyloxy-1,2,3,3a,5,7-hexahydroinden-4-one
SMILESCC1(C)CC(=O)[C@H]2[C@H](O[Si](C)(C)C)CC[C@@]2(C)C1
InChIInChI=1S/C15H28O2Si/c1-14(2)9-11(16)13-12(17-18(4,5)6)7-8-15(13,3)10-14/h12-13H,7-10H2,1-6H3/t12-,13+,15+/m1/s1
InChIKeyQKWZWRCEPZBCAS-IPYPFGDCSA-N
MW268.47 g/mol
LogP4.01
Rot. Bonds2

About (3R,3aR,7aS)-6,6,7a-trimethyl-3-trimethylsilyloxy-1,2,3,3a,5,7-hexahydroinden-4-one

(3R,3aR,7aS)-6,6,7a-trimethyl-3-trimethylsilyloxy-1,2,3,3a,5,7-hexahydroinden-4-one (PubChem CID 101029179) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is (3R,3aR,7aS)-6,6,7a-trimethyl-3-trimethylsilyloxy-1,2,3,3a,5,7-hexahydroinden-4-one.

Molecular Properties

Compound Name(3R,3aR,7aS)-6,6,7a-trimethyl-3-trimethylsilyloxy-1,2,3,3a,5,7-hexahydroinden-4-one
PubChem CID101029179
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name(3R,3aR,7aS)-6,6,7a-trimethyl-3-trimethylsilyloxy-1,2,3,3a,5,7-hexahydroinden-4-one
SMILESCC1(C)CC(=O)[C@H]2[C@H](O[Si](C)(C)C)CC[C@@]2(C)C1
InChIInChI=1S/C15H28O2Si/c1-14(2)9-11(16)13-12(17-18(4,5)6)7-8-15(13,3)10-14/h12-13H,7-10H2,1-6H3/t12-,13+,15+/m1/s1
InChIKeyQKWZWRCEPZBCAS-IPYPFGDCSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R,3aR,7aS)-6,6,7a-trimethyl-3-trimethylsilyloxy-1,2,3,3a,5,7-hexahydroinden-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aS,7aR)-6,6,7a-trimethyl-3-trimethylsilyloxy-1,2,3,3a,5,7-hexahydroinden-4-one
CID 23242842
6-hydroxy-2,2,3a-trimethyl-4,5,6,6a-tetrahydro-3H-pentalen-1-one
CID 85299327
(1R,2R,7R,8R)-1,2,4,4,11,11-hexamethyl-3,12-dioxatricyclo[6.4.0.02,7]dodecane-6,9-dione
CID 102033627
(1S,2R,3R,8R,9S,10S)-6,6,8-trimethyltetracyclo[8.2.1.02,9.03,8]tridecan-4-one
CID 124935588
trimethyl-[(1S,2S)-2-trimethylsilyloxycyclohexyl]oxysilane
CID 58864550
(3aS,4S,6aR)-4-(methoxymethoxy)-6a-methyl-1,3,3a,4,5,6-hexahydropentalen-2-one
CID 102217240
(1S,2S,4R,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-methyltricyclo[4.3.1.02,4]decan-5-one
CID 177438963
(1R,3R,4R)-1-ethenyl-7,7-dimethyl-3-trimethylsilyloxybicyclo[2.2.1]heptan-2-one
CID 99772779
4-trimethylsilyloxycyclohexan-1-one
CID 53439909
1-[(1R,2R)-2-trimethylsilyloxycyclopentyl]ethanone
CID 15524463
3,4-dimethylbicyclo[2.2.2]octane-2,6-dione
CID 130036327
(2S)-2-(diethoxymethyl)-5,5-dimethylcyclohexan-1-one
CID 155284060

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,7aS)-6,6,7a-trimethyl-3-trimethylsilyloxy-1,2,3,3a,5,7-hexahydroinden-4-one?
The IUPAC name of (3R,3aR,7aS)-6,6,7a-trimethyl-3-trimethylsilyloxy-1,2,3,3a,5,7-hexahydroinden-4-one (CID 101029179) is (3R,3aR,7aS)-6,6,7a-trimethyl-3-trimethylsilyloxy-1,2,3,3a,5,7-hexahydroinden-4-one.
What is the SMILES notation for (3R,3aR,7aS)-6,6,7a-trimethyl-3-trimethylsilyloxy-1,2,3,3a,5,7-hexahydroinden-4-one?
The canonical SMILES for (3R,3aR,7aS)-6,6,7a-trimethyl-3-trimethylsilyloxy-1,2,3,3a,5,7-hexahydroinden-4-one is CC1(C)CC(=O)[C@H]2[C@H](O[Si](C)(C)C)CC[C@@]2(C)C1.
What is the InChIKey of (3R,3aR,7aS)-6,6,7a-trimethyl-3-trimethylsilyloxy-1,2,3,3a,5,7-hexahydroinden-4-one?
The InChIKey is QKWZWRCEPZBCAS-IPYPFGDCSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-14(2)9-11(16)13-12(17-18(4,5)6)7-8-15(13,3)10-14/h12-13H,7-10H2,1-6H3/t12-,13+,15+/m1/s1.
What are the key properties of (3R,3aR,7aS)-6,6,7a-trimethyl-3-trimethylsilyloxy-1,2,3,3a,5,7-hexahydroinden-4-one?
(3R,3aR,7aS)-6,6,7a-trimethyl-3-trimethylsilyloxy-1,2,3,3a,5,7-hexahydroinden-4-one has a molecular weight of 268.47 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,7aS)-6,6,7a-trimethyl-3-trimethylsilyloxy-1,2,3,3a,5,7-hexahydroinden-4-one is sourced from PubChem (CID 101029179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).