1-[2-(2,2,4,4-tetramethylpentan-3-ylsilyloxy)cyclohexyl]propan-2-ol

C18H38O2Si — CID 173272607

IUPAC1-[2-(2,2,4,4-tetramethylpentan-3-ylsilyloxy)cyclohexyl]propan-2-ol
SMILESCC(O)CC1CCCCC1O[SiH2]C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H38O2Si/c1-13(19)12-14-10-8-9-11-15(14)20-21-16(17(2,3)4)18(5,6)7/h13-16,19H,8-12,21H2,1-7H3
InChIKeySDIKGKZNCLNIAC-UHFFFAOYSA-N
MW314.59 g/mol
LogP4.30
Rot. Bonds5

About 1-[2-(2,2,4,4-tetramethylpentan-3-ylsilyloxy)cyclohexyl]propan-2-ol

1-[2-(2,2,4,4-tetramethylpentan-3-ylsilyloxy)cyclohexyl]propan-2-ol (PubChem CID 173272607) has the molecular formula C18H38O2Si and a molecular weight of 314.59 g/mol. Its IUPAC name is 1-[2-(2,2,4,4-tetramethylpentan-3-ylsilyloxy)cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(2,2,4,4-tetramethylpentan-3-ylsilyloxy)cyclohexyl]propan-2-ol
PubChem CID173272607
Molecular FormulaC18H38O2Si
Molecular Weight314.59 g/mol
Exact Mass314.26
IUPAC Name1-[2-(2,2,4,4-tetramethylpentan-3-ylsilyloxy)cyclohexyl]propan-2-ol
SMILESCC(O)CC1CCCCC1O[SiH2]C(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H38O2Si/c1-13(19)12-14-10-8-9-11-15(14)20-21-16(17(2,3)4)18(5,6)7/h13-16,19H,8-12,21H2,1-7H3
InChIKeySDIKGKZNCLNIAC-UHFFFAOYSA-N
XLogP4.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.59
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorocyclohexyl)propan-2-ol
CID 89165840
(2S)-2-amino-4,4-difluoro-1-(2-propan-2-yloxycyclohexyl)pentan-3-one
CID 154415706
1-(2-ethylcyclohexyl)-2-methylbutane-1,2-diol
CID 103448588
2-[2-[2-[2-(2-hydroxyethoxy)cyclohexyl]propyl]cyclohexyl]oxyethanol
CID 151509941
1-[4-(2-hydroxypropyl)cyclohexyl]propan-2-ol
CID 19387430
4-cycloheptyl-4-methylpentan-2-ol
CID 82923694
1-(2-aminocyclopentyl)oxypropan-2-ol
CID 106938950
3-[2-(aminomethyl)cyclohexyl]oxy-2-methylpropan-1-ol
CID 106938411
2-[2-(aminomethyl)cyclohexyl]oxypropanoic acid
CID 106940224
1-[2-(2-methylbutyl)cyclohexyl]oxyethyl prop-2-enoate
CID 89277087
1-(2,2-dimethylpropyl)-2-methoxycyclohexane
CID 158846748
1-[1-(2-ethylcyclohexyl)azepan-2-yl]propan-2-ol
CID 114338744

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,4,4-tetramethylpentan-3-ylsilyloxy)cyclohexyl]propan-2-ol?
The IUPAC name of 1-[2-(2,2,4,4-tetramethylpentan-3-ylsilyloxy)cyclohexyl]propan-2-ol (CID 173272607) is 1-[2-(2,2,4,4-tetramethylpentan-3-ylsilyloxy)cyclohexyl]propan-2-ol.
What is the SMILES notation for 1-[2-(2,2,4,4-tetramethylpentan-3-ylsilyloxy)cyclohexyl]propan-2-ol?
The canonical SMILES for 1-[2-(2,2,4,4-tetramethylpentan-3-ylsilyloxy)cyclohexyl]propan-2-ol is CC(O)CC1CCCCC1O[SiH2]C(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 1-[2-(2,2,4,4-tetramethylpentan-3-ylsilyloxy)cyclohexyl]propan-2-ol?
The InChIKey is SDIKGKZNCLNIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2Si/c1-13(19)12-14-10-8-9-11-15(14)20-21-16(17(2,3)4)18(5,6)7/h13-16,19H,8-12,21H2,1-7H3.
What are the key properties of 1-[2-(2,2,4,4-tetramethylpentan-3-ylsilyloxy)cyclohexyl]propan-2-ol?
1-[2-(2,2,4,4-tetramethylpentan-3-ylsilyloxy)cyclohexyl]propan-2-ol has a molecular weight of 314.59 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,4,4-tetramethylpentan-3-ylsilyloxy)cyclohexyl]propan-2-ol is sourced from PubChem (CID 173272607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).