3,3,5,5-tetramethyl-2-(2-phenoxyethoxy)hexan-2-ol

C18H30O3 — CID 141071061

IUPAC3,3,5,5-tetramethyl-2-(2-phenoxyethoxy)hexan-2-ol
SMILESCC(C)(C)CC(C)(C)C(C)(O)OCCOc1ccccc1
InChIInChI=1S/C18H30O3/c1-16(2,3)14-17(4,5)18(6,19)21-13-12-20-15-10-8-7-9-11-15/h7-11,19H,12-14H2,1-6H3
InChIKeyFVINUEAWLDMBIR-UHFFFAOYSA-N
MW294.43 g/mol
LogP4.25
Rot. Bonds7

About 3,3,5,5-tetramethyl-2-(2-phenoxyethoxy)hexan-2-ol

3,3,5,5-tetramethyl-2-(2-phenoxyethoxy)hexan-2-ol (PubChem CID 141071061) has the molecular formula C18H30O3 and a molecular weight of 294.43 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-2-(2-phenoxyethoxy)hexan-2-ol.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-2-(2-phenoxyethoxy)hexan-2-ol
PubChem CID141071061
Molecular FormulaC18H30O3
Molecular Weight294.43 g/mol
Exact Mass294.22
IUPAC Name3,3,5,5-tetramethyl-2-(2-phenoxyethoxy)hexan-2-ol
SMILESCC(C)(C)CC(C)(C)C(C)(O)OCCOc1ccccc1
InChIInChI=1S/C18H30O3/c1-16(2,3)14-17(4,5)18(6,19)21-13-12-20-15-10-8-7-9-11-15/h7-11,19H,12-14H2,1-6H3
InChIKeyFVINUEAWLDMBIR-UHFFFAOYSA-N
XLogP4.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-phenoxyethoxy)pentan-2-ol
CID 141202879
2,2,4,4-tetramethylpentoxybenzene
CID 70425921
2,3-dimethyl-3-(3-phenoxypropoxy)butan-2-ol
CID 175326369
3-methyl-1-phenoxypentan-3-ol
CID 139819683
2-phenoxyethylmercury
CID 163598363
4,4-dimethylpentoxybenzene;fluoromethane
CID 158387745
N-ethyl-2-methyl-2-(2-phenoxyethoxy)propan-1-amine
CID 62353597
CID 58544227
CID 58544227
2,2-dimethyl-4-phenoxybutan-1-ol
CID 66024282
2-methyl-1-(2-phenoxyethoxy)butan-2-amine
CID 64573594
2,2-dimethyl-3-(2-phenoxyethoxy)propanoic acid
CID 79623125
1-amino-2-methyl-5-phenoxypentan-2-ol
CID 64814632

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-2-(2-phenoxyethoxy)hexan-2-ol?
The IUPAC name of 3,3,5,5-tetramethyl-2-(2-phenoxyethoxy)hexan-2-ol (CID 141071061) is 3,3,5,5-tetramethyl-2-(2-phenoxyethoxy)hexan-2-ol.
What is the SMILES notation for 3,3,5,5-tetramethyl-2-(2-phenoxyethoxy)hexan-2-ol?
The canonical SMILES for 3,3,5,5-tetramethyl-2-(2-phenoxyethoxy)hexan-2-ol is CC(C)(C)CC(C)(C)C(C)(O)OCCOc1ccccc1.
What is the InChIKey of 3,3,5,5-tetramethyl-2-(2-phenoxyethoxy)hexan-2-ol?
The InChIKey is FVINUEAWLDMBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-16(2,3)14-17(4,5)18(6,19)21-13-12-20-15-10-8-7-9-11-15/h7-11,19H,12-14H2,1-6H3.
What are the key properties of 3,3,5,5-tetramethyl-2-(2-phenoxyethoxy)hexan-2-ol?
3,3,5,5-tetramethyl-2-(2-phenoxyethoxy)hexan-2-ol has a molecular weight of 294.43 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-2-(2-phenoxyethoxy)hexan-2-ol is sourced from PubChem (CID 141071061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).