2,2,5,5-tetramethyl-3-[(4-propan-2-ylphenyl)methyl]oxolan-3-ol

C18H28O2 — CID 79928238

IUPAC2,2,5,5-tetramethyl-3-[(4-propan-2-ylphenyl)methyl]oxolan-3-ol
SMILESCC(C)c1ccc(CC2(O)CC(C)(C)OC2(C)C)cc1
InChIInChI=1S/C18H28O2/c1-13(2)15-9-7-14(8-10-15)11-18(19)12-16(3,4)20-17(18,5)6/h7-10,13,19H,11-12H2,1-6H3
InChIKeyWGNMNFHZXAZOLV-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.06
Rot. Bonds3

About 2,2,5,5-tetramethyl-3-[(4-propan-2-ylphenyl)methyl]oxolan-3-ol

2,2,5,5-tetramethyl-3-[(4-propan-2-ylphenyl)methyl]oxolan-3-ol (PubChem CID 79928238) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-3-[(4-propan-2-ylphenyl)methyl]oxolan-3-ol.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-3-[(4-propan-2-ylphenyl)methyl]oxolan-3-ol
PubChem CID79928238
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name2,2,5,5-tetramethyl-3-[(4-propan-2-ylphenyl)methyl]oxolan-3-ol
SMILESCC(C)c1ccc(CC2(O)CC(C)(C)OC2(C)C)cc1
InChIInChI=1S/C18H28O2/c1-13(2)15-9-7-14(8-10-15)11-18(19)12-16(3,4)20-17(18,5)6/h7-10,13,19H,11-12H2,1-6H3
InChIKeyWGNMNFHZXAZOLV-UHFFFAOYSA-N
XLogP4.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-2,2,5,5-tetramethyloxolan-3-ol
CID 79928120
2,2,5,5-tetramethyl-3-[(3-methylphenyl)methyl]oxolan-3-ol
CID 79928455
5,5-dimethyl-3-[(4-propan-2-ylphenyl)methyl]thian-3-ol
CID 79947185
3-[(2-methoxyphenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 79928571
3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
CID 80705541
1-[(1-ethylcyclopropyl)methyl]-4-propan-2-ylbenzene
CID 153389368
[1-[(4-propan-2-ylphenyl)methyl]cyclopentyl]methanol
CID 66026116
6-methyl-6-[(4-propan-2-ylphenyl)methyl]-1,4-diazepane
CID 82479646
1-methyl-3-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-ol
CID 65146674
[3-[(4-propan-2-ylphenyl)methyl]oxetan-3-yl]methanamine
CID 116930450
[1-[(4-propan-2-ylphenyl)methyl]cyclohexyl]methanol
CID 66024781
[2,2-dimethyl-1-(4-propan-2-ylphenyl)cyclopropyl]methanol
CID 116842604

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-3-[(4-propan-2-ylphenyl)methyl]oxolan-3-ol?
The IUPAC name of 2,2,5,5-tetramethyl-3-[(4-propan-2-ylphenyl)methyl]oxolan-3-ol (CID 79928238) is 2,2,5,5-tetramethyl-3-[(4-propan-2-ylphenyl)methyl]oxolan-3-ol.
What is the SMILES notation for 2,2,5,5-tetramethyl-3-[(4-propan-2-ylphenyl)methyl]oxolan-3-ol?
The canonical SMILES for 2,2,5,5-tetramethyl-3-[(4-propan-2-ylphenyl)methyl]oxolan-3-ol is CC(C)c1ccc(CC2(O)CC(C)(C)OC2(C)C)cc1.
What is the InChIKey of 2,2,5,5-tetramethyl-3-[(4-propan-2-ylphenyl)methyl]oxolan-3-ol?
The InChIKey is WGNMNFHZXAZOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-13(2)15-9-7-14(8-10-15)11-18(19)12-16(3,4)20-17(18,5)6/h7-10,13,19H,11-12H2,1-6H3.
What are the key properties of 2,2,5,5-tetramethyl-3-[(4-propan-2-ylphenyl)methyl]oxolan-3-ol?
2,2,5,5-tetramethyl-3-[(4-propan-2-ylphenyl)methyl]oxolan-3-ol has a molecular weight of 276.42 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-3-[(4-propan-2-ylphenyl)methyl]oxolan-3-ol is sourced from PubChem (CID 79928238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).