(4b,8,8-trimethyl-3-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl)oxy-trimethylsilane

C23H38OSi — CID 91743369

IUPAC(4b,8,8-trimethyl-3-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl)oxy-trimethylsilane
SMILESCC(C)c1cc2c(cc1O[Si](C)(C)C)CCC1C(C)(C)CCCC21C
InChIInChI=1S/C23H38OSi/c1-16(2)18-15-19-17(14-20(18)24-25(6,7)8)10-11-21-22(3,4)12-9-13-23(19,21)5/h14-16,21H,9-13H2,1-8H3
InChIKeyYOJRUCFZKUVCKD-UHFFFAOYSA-N
MW358.64 g/mol
LogP7.05
Rot. Bonds3

About (4b,8,8-trimethyl-3-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl)oxy-trimethylsilane

(4b,8,8-trimethyl-3-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl)oxy-trimethylsilane (PubChem CID 91743369) has the molecular formula C23H38OSi and a molecular weight of 358.64 g/mol. Its IUPAC name is (4b,8,8-trimethyl-3-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(4b,8,8-trimethyl-3-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl)oxy-trimethylsilane
PubChem CID91743369
Molecular FormulaC23H38OSi
Molecular Weight358.64 g/mol
Exact Mass358.27
IUPAC Name(4b,8,8-trimethyl-3-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl)oxy-trimethylsilane
SMILESCC(C)c1cc2c(cc1O[Si](C)(C)C)CCC1C(C)(C)CCCC21C
InChIInChI=1S/C23H38OSi/c1-16(2)18-15-19-17(14-20(18)24-25(6,7)8)10-11-21-22(3,4)12-9-13-23(19,21)5/h14-16,21H,9-13H2,1-8H3
InChIKeyYOJRUCFZKUVCKD-UHFFFAOYSA-N
XLogP7.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.64
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4bS,8aS)-2-methoxy-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
CID 15870443
(4bS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-2,3-diol
CID 24746671
[(4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl] hexadecanoate
CID 118717337
(4aS,10aS)-6-[[(1R,4S,4aR,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-yl]oxy]-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
CID 11677578
(4bR,8aR)-2-(1-hydroxypropan-2-yl)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
CID 163016901
(4bS,8aS)-2,4b,8,8-tetramethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
CID 10515391
methyl (1R,4aS)-6-methoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
CID 163520336
(4bR,8aR)-4b,8,8-trimethyl-2-prop-1-en-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
CID 10541071
6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
CID 628775
(4bR,8aR)-4b,8,8-trimethyl-3-phenylmethoxy-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
CID 638504
(4aS,10aS)-1,1,4a-trimethyl-8-nitro-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
CID 11336036
[6-[[8-(aminomethyl)-4b,8-dimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]methyl]-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine
CID 146657083

Frequently Asked Questions

What is the IUPAC name of (4b,8,8-trimethyl-3-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl)oxy-trimethylsilane?
The IUPAC name of (4b,8,8-trimethyl-3-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl)oxy-trimethylsilane (CID 91743369) is (4b,8,8-trimethyl-3-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl)oxy-trimethylsilane.
What is the SMILES notation for (4b,8,8-trimethyl-3-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl)oxy-trimethylsilane?
The canonical SMILES for (4b,8,8-trimethyl-3-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl)oxy-trimethylsilane is CC(C)c1cc2c(cc1O[Si](C)(C)C)CCC1C(C)(C)CCCC21C.
What is the InChIKey of (4b,8,8-trimethyl-3-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl)oxy-trimethylsilane?
The InChIKey is YOJRUCFZKUVCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38OSi/c1-16(2)18-15-19-17(14-20(18)24-25(6,7)8)10-11-21-22(3,4)12-9-13-23(19,21)5/h14-16,21H,9-13H2,1-8H3.
What are the key properties of (4b,8,8-trimethyl-3-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl)oxy-trimethylsilane?
(4b,8,8-trimethyl-3-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl)oxy-trimethylsilane has a molecular weight of 358.64 g/mol, XLogP of 7.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4b,8,8-trimethyl-3-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl)oxy-trimethylsilane is sourced from PubChem (CID 91743369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).