(4-methoxyphenyl)sulfanyl-tri(propan-2-yl)silane

C16H28OSSi — CID 86176309

IUPAC(4-methoxyphenyl)sulfanyl-tri(propan-2-yl)silane
SMILESCOc1ccc(S[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C16H28OSSi/c1-12(2)19(13(3)4,14(5)6)18-16-10-8-15(17-7)9-11-16/h8-14H,1-7H3
InChIKeyXRHPHMZDMQEKLG-UHFFFAOYSA-N
MW296.55 g/mol
LogP5.96
Rot. Bonds6

About (4-methoxyphenyl)sulfanyl-tri(propan-2-yl)silane

(4-methoxyphenyl)sulfanyl-tri(propan-2-yl)silane (PubChem CID 86176309) has the molecular formula C16H28OSSi and a molecular weight of 296.55 g/mol. Its IUPAC name is (4-methoxyphenyl)sulfanyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name(4-methoxyphenyl)sulfanyl-tri(propan-2-yl)silane
PubChem CID86176309
Molecular FormulaC16H28OSSi
Molecular Weight296.55 g/mol
Exact Mass296.16
IUPAC Name(4-methoxyphenyl)sulfanyl-tri(propan-2-yl)silane
SMILESCOc1ccc(S[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C16H28OSSi/c1-12(2)19(13(3)4,14(5)6)18-16-10-8-15(17-7)9-11-16/h8-14H,1-7H3
InChIKeyXRHPHMZDMQEKLG-UHFFFAOYSA-N
XLogP5.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.55
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-propan-2-yloxysulfanylbenzene
CID 19844341
5,8-bis[(4-methoxyphenyl)sulfanyl]phthalazine
CID 71186149
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene
CID 132916371
CID 12607295
CID 12607295
CID 154175564
CID 154175564
(4-methoxyphenyl)silane
CID 100998160
1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene
CID 176734451
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
trichloro-(4-methoxyphenyl)silane
CID 13219757
[(Z)-3-(4-methoxyphenyl)prop-2-enyl]-tri(propan-2-yl)silane
CID 134949359
1-(4-methoxyphenyl)-N-tri(propan-2-yl)silyloxymethanamine
CID 132599430

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)sulfanyl-tri(propan-2-yl)silane?
The IUPAC name of (4-methoxyphenyl)sulfanyl-tri(propan-2-yl)silane (CID 86176309) is (4-methoxyphenyl)sulfanyl-tri(propan-2-yl)silane.
What is the SMILES notation for (4-methoxyphenyl)sulfanyl-tri(propan-2-yl)silane?
The canonical SMILES for (4-methoxyphenyl)sulfanyl-tri(propan-2-yl)silane is COc1ccc(S[Si](C(C)C)(C(C)C)C(C)C)cc1.
What is the InChIKey of (4-methoxyphenyl)sulfanyl-tri(propan-2-yl)silane?
The InChIKey is XRHPHMZDMQEKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OSSi/c1-12(2)19(13(3)4,14(5)6)18-16-10-8-15(17-7)9-11-16/h8-14H,1-7H3.
What are the key properties of (4-methoxyphenyl)sulfanyl-tri(propan-2-yl)silane?
(4-methoxyphenyl)sulfanyl-tri(propan-2-yl)silane has a molecular weight of 296.55 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)sulfanyl-tri(propan-2-yl)silane is sourced from PubChem (CID 86176309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).