3-[dimethyl-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]silyl]propan-1-ol

C28H48OSi — CID 153276993

IUPAC3-[dimethyl-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]silyl]propan-1-ol
SMILESCCCCCC1CCC(C2CCC(c3ccc([Si](C)(C)CCCO)cc3)CC2)CC1
InChIInChI=1S/C28H48OSi/c1-4-5-6-8-23-9-11-24(12-10-23)25-13-15-26(16-14-25)27-17-19-28(20-18-27)30(2,3)22-7-21-29/h17-20,23-26,29H,4-16,21-22H2,1-3H3
InChIKeyUPZQVGRCYSCFOZ-UHFFFAOYSA-N
MW428.78 g/mol
LogP7.64
Rot. Bonds10

About 3-[dimethyl-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]silyl]propan-1-ol

3-[dimethyl-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]silyl]propan-1-ol (PubChem CID 153276993) has the molecular formula C28H48OSi and a molecular weight of 428.78 g/mol. Its IUPAC name is 3-[dimethyl-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]silyl]propan-1-ol.

Molecular Properties

Compound Name3-[dimethyl-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]silyl]propan-1-ol
PubChem CID153276993
Molecular FormulaC28H48OSi
Molecular Weight428.78 g/mol
Exact Mass428.35
IUPAC Name3-[dimethyl-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]silyl]propan-1-ol
SMILESCCCCCC1CCC(C2CCC(c3ccc([Si](C)(C)CCCO)cc3)CC2)CC1
InChIInChI=1S/C28H48OSi/c1-4-5-6-8-23-9-11-24(12-10-23)25-13-15-26(16-14-25)27-17-19-28(20-18-27)30(2,3)22-7-21-29/h17-20,23-26,29H,4-16,21-22H2,1-3H3
InChIKeyUPZQVGRCYSCFOZ-UHFFFAOYSA-N
XLogP7.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.78
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-[2,3-difluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]phenyl]-dimethylsilyl]propan-1-ol
CID 149428861
4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol
CID 139983091
1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 14985198
4-[4-(4-pentylcyclohexyl)cyclohexyl]phenol;3-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenoxy]propan-1-ol
CID 159280590
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;bis(1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene)
CID 161029870
4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline
CID 70180506
8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]octan-1-ol
CID 154928109
[5-[dimethyl-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]silyl]-2-(hydroxymethyl)pentyl] 2-methylprop-2-enoate
CID 153277148
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
1-(4-pentylcyclohexyl)-4-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]cyclohexyl]benzene
CID 123873096
4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenol
CID 142281267

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]silyl]propan-1-ol?
The IUPAC name of 3-[dimethyl-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]silyl]propan-1-ol (CID 153276993) is 3-[dimethyl-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]silyl]propan-1-ol.
What is the SMILES notation for 3-[dimethyl-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]silyl]propan-1-ol?
The canonical SMILES for 3-[dimethyl-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]silyl]propan-1-ol is CCCCCC1CCC(C2CCC(c3ccc([Si](C)(C)CCCO)cc3)CC2)CC1.
What is the InChIKey of 3-[dimethyl-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]silyl]propan-1-ol?
The InChIKey is UPZQVGRCYSCFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48OSi/c1-4-5-6-8-23-9-11-24(12-10-23)25-13-15-26(16-14-25)27-17-19-28(20-18-27)30(2,3)22-7-21-29/h17-20,23-26,29H,4-16,21-22H2,1-3H3.
What are the key properties of 3-[dimethyl-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]silyl]propan-1-ol?
3-[dimethyl-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]silyl]propan-1-ol has a molecular weight of 428.78 g/mol, XLogP of 7.64, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]silyl]propan-1-ol is sourced from PubChem (CID 153276993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).