trimethyl-[(4R,7S)-4-methyl-7-[(2S)-5-methylhex-5-en-2-yl]cyclohepten-1-yl]oxysilane

C18H34OSi — CID 10891741

IUPACtrimethyl-[(4R,7S)-4-methyl-7-[(2S)-5-methylhex-5-en-2-yl]cyclohepten-1-yl]oxysilane
SMILESC=C(C)CC[C@H](C)[C@@H]1CC[C@@H](C)CC=C1O[Si](C)(C)C
InChIInChI=1S/C18H34OSi/c1-14(2)8-11-16(4)17-12-9-15(3)10-13-18(17)19-20(5,6)7/h13,15-17H,1,8-12H2,2-7H3/t15-,16+,17+/m1/s1
InChIKeyKKWGIEMALYNKRH-IKGGRYGDSA-N
MW294.56 g/mol
LogP6.15
Rot. Bonds6

About trimethyl-[(4R,7S)-4-methyl-7-[(2S)-5-methylhex-5-en-2-yl]cyclohepten-1-yl]oxysilane

trimethyl-[(4R,7S)-4-methyl-7-[(2S)-5-methylhex-5-en-2-yl]cyclohepten-1-yl]oxysilane (PubChem CID 10891741) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is trimethyl-[(4R,7S)-4-methyl-7-[(2S)-5-methylhex-5-en-2-yl]cyclohepten-1-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(4R,7S)-4-methyl-7-[(2S)-5-methylhex-5-en-2-yl]cyclohepten-1-yl]oxysilane
PubChem CID10891741
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Nametrimethyl-[(4R,7S)-4-methyl-7-[(2S)-5-methylhex-5-en-2-yl]cyclohepten-1-yl]oxysilane
SMILESC=C(C)CC[C@H](C)[C@@H]1CC[C@@H](C)CC=C1O[Si](C)(C)C
InChIInChI=1S/C18H34OSi/c1-14(2)8-11-16(4)17-12-9-15(3)10-13-18(17)19-20(5,6)7/h13,15-17H,1,8-12H2,2-7H3/t15-,16+,17+/m1/s1
InChIKeyKKWGIEMALYNKRH-IKGGRYGDSA-N
XLogP6.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 trimethyl-[(4R,7S)-4-methyl-7-[(2S)-5-methylhex-5-en-2-yl]cyclohepten-1-yl]oxysilane?
The IUPAC name of trimethyl-[(4R,7S)-4-methyl-7-[(2S)-5-methylhex-5-en-2-yl]cyclohepten-1-yl]oxysilane (CID 10891741) is trimethyl-[(4R,7S)-4-methyl-7-[(2S)-5-methylhex-5-en-2-yl]cyclohepten-1-yl]oxysilane.
What is the SMILES notation for trimethyl-[(4R,7S)-4-methyl-7-[(2S)-5-methylhex-5-en-2-yl]cyclohepten-1-yl]oxysilane?
The canonical SMILES for trimethyl-[(4R,7S)-4-methyl-7-[(2S)-5-methylhex-5-en-2-yl]cyclohepten-1-yl]oxysilane is C=C(C)CC[C@H](C)[C@@H]1CC[C@@H](C)CC=C1O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(4R,7S)-4-methyl-7-[(2S)-5-methylhex-5-en-2-yl]cyclohepten-1-yl]oxysilane?
The InChIKey is KKWGIEMALYNKRH-IKGGRYGDSA-N. The full InChI is InChI=1S/C18H34OSi/c1-14(2)8-11-16(4)17-12-9-15(3)10-13-18(17)19-20(5,6)7/h13,15-17H,1,8-12H2,2-7H3/t15-,16+,17+/m1/s1.
What are the key properties of trimethyl-[(4R,7S)-4-methyl-7-[(2S)-5-methylhex-5-en-2-yl]cyclohepten-1-yl]oxysilane?
trimethyl-[(4R,7S)-4-methyl-7-[(2S)-5-methylhex-5-en-2-yl]cyclohepten-1-yl]oxysilane has a molecular weight of 294.56 g/mol, XLogP of 6.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(4R,7S)-4-methyl-7-[(2S)-5-methylhex-5-en-2-yl]cyclohepten-1-yl]oxysilane is sourced from PubChem (CID 10891741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).