4-[(4-hydroxyphenyl)-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)methyl]phenol

C24H44O2Si6 — CID 139660990

IUPAC4-[(4-hydroxyphenyl)-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)methyl]phenol
SMILESC[Si]1(C)[Si](C)(C)[Si](C)(C)[Si](C)(C(c2ccc(O)cc2)c2ccc(O)cc2)[Si](C)(C)[Si]1(C)C
InChIInChI=1S/C24H44O2Si6/c1-27(2)28(3,4)30(7,8)32(11,31(9,10)29(27,5)6)24(20-12-16-22(25)17-13-20)21-14-18-23(26)19-15-21/h12-19,24-26H,1-11H3
InChIKeyOPPNRCULCZQPCU-UHFFFAOYSA-N
MW533.13 g/mol
LogP6.87
Rot. Bonds3

About 4-[(4-hydroxyphenyl)-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)methyl]phenol

4-[(4-hydroxyphenyl)-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)methyl]phenol (PubChem CID 139660990) has the molecular formula C24H44O2Si6 and a molecular weight of 533.13 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)methyl]phenol
PubChem CID139660990
Molecular FormulaC24H44O2Si6
Molecular Weight533.13 g/mol
Exact Mass532.20
IUPAC Name4-[(4-hydroxyphenyl)-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)methyl]phenol
SMILESC[Si]1(C)[Si](C)(C)[Si](C)(C)[Si](C)(C(c2ccc(O)cc2)c2ccc(O)cc2)[Si](C)(C)[Si]1(C)C
InChIInChI=1S/C24H44O2Si6/c1-27(2)28(3,4)30(7,8)32(11,31(9,10)29(27,5)6)24(20-12-16-22(25)17-13-20)21-14-18-23(26)19-15-21/h12-19,24-26H,1-11H3
InChIKeyOPPNRCULCZQPCU-UHFFFAOYSA-N
XLogP6.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.13
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol
CID 22648594
methane;4-propan-2-ylphenol
CID 159328733
disodium;benzene-1,4-diol;hydride
CID 173178650
4-[(1R)-1-fluoroethyl]phenol
CID 124547590
4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol
CID 159558914
4-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phenol
CID 15597034
CID 174824648
CID 174824648
4-[(1R)-1-aminoethyl]phenol;hydrochloride
CID 127264624
sodium hydroxy-(4-hydroxyphenyl)methanesulfinate
CID 130034318
4-[(4-hydroxy-3,5-diiodophenyl)-(4-hydroxyphenyl)methyl]-2,6-diiodophenol
CID 170357941
4-[(2R,3S)-1-hydroxy-2-(4-hydroxyphenyl)pentan-3-yl]phenol
CID 12962984

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)methyl]phenol?
The IUPAC name of 4-[(4-hydroxyphenyl)-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)methyl]phenol (CID 139660990) is 4-[(4-hydroxyphenyl)-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)methyl]phenol.
What is the SMILES notation for 4-[(4-hydroxyphenyl)-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)methyl]phenol?
The canonical SMILES for 4-[(4-hydroxyphenyl)-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)methyl]phenol is C[Si]1(C)[Si](C)(C)[Si](C)(C)[Si](C)(C(c2ccc(O)cc2)c2ccc(O)cc2)[Si](C)(C)[Si]1(C)C.
What is the InChIKey of 4-[(4-hydroxyphenyl)-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)methyl]phenol?
The InChIKey is OPPNRCULCZQPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O2Si6/c1-27(2)28(3,4)30(7,8)32(11,31(9,10)29(27,5)6)24(20-12-16-22(25)17-13-20)21-14-18-23(26)19-15-21/h12-19,24-26H,1-11H3.
What are the key properties of 4-[(4-hydroxyphenyl)-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)methyl]phenol?
4-[(4-hydroxyphenyl)-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)methyl]phenol has a molecular weight of 533.13 g/mol, XLogP of 6.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)-(1,2,2,3,3,4,4,5,5,6,6-undecamethylhexasilinan-1-yl)methyl]phenol is sourced from PubChem (CID 139660990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).