2,2,4,4-tetramethylpentoxybenzene

C15H24O — CID 70425921

IUPAC2,2,4,4-tetramethylpentoxybenzene
SMILESCC(C)(C)CC(C)(C)COc1ccccc1
InChIInChI=1S/C15H24O/c1-14(2,3)11-15(4,5)12-16-13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3
InChIKeyQOTSOCPZXPBFTQ-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.53
Rot. Bonds4

About 2,2,4,4-tetramethylpentoxybenzene

2,2,4,4-tetramethylpentoxybenzene (PubChem CID 70425921) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2,2,4,4-tetramethylpentoxybenzene.

Molecular Properties

Compound Name2,2,4,4-tetramethylpentoxybenzene
PubChem CID70425921
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2,2,4,4-tetramethylpentoxybenzene
SMILESCC(C)(C)CC(C)(C)COc1ccccc1
InChIInChI=1S/C15H24O/c1-14(2,3)11-15(4,5)12-16-13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3
InChIKeyQOTSOCPZXPBFTQ-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-methoxy-2,2-dimethylpropoxy)benzene
CID 141306670
3,3-dimethyl-4-phenoxybutan-1-amine
CID 115019571
2,2-difluoropropoxybenzene
CID 10997493
3,3,5,5-tetramethyl-2-(2-phenoxyethoxy)hexan-2-ol
CID 141071061
1-(3-bromo-2,2-dimethylpropoxy)-4-phenylbenzene
CID 64995461
2,2-dimethyl-3-(4-phenylphenoxy)propan-1-amine
CID 79018967
2,2-dimethyl-3-phenoxypropanoyl chloride
CID 82040727
2,3-dimethyl-1-phenoxybutan-2-ol
CID 114447731
[4-(2,2-dimethylpropoxy)phenyl]-diphenylsulfanium
CID 160615561
2-phenylmethoxy-3-(2,2,4,4-tetramethyl-5-phenoxypentoxy)propan-1-ol
CID 149122103
2,4,4,6,6-pentamethylheptan-2-yloxymethylbenzene
CID 164583804
2-methyl-2-(phenoxymethyl)butan-1-ol
CID 86182983

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethylpentoxybenzene?
The IUPAC name of 2,2,4,4-tetramethylpentoxybenzene (CID 70425921) is 2,2,4,4-tetramethylpentoxybenzene.
What is the SMILES notation for 2,2,4,4-tetramethylpentoxybenzene?
The canonical SMILES for 2,2,4,4-tetramethylpentoxybenzene is CC(C)(C)CC(C)(C)COc1ccccc1.
What is the InChIKey of 2,2,4,4-tetramethylpentoxybenzene?
The InChIKey is QOTSOCPZXPBFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-14(2,3)11-15(4,5)12-16-13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3.
What are the key properties of 2,2,4,4-tetramethylpentoxybenzene?
2,2,4,4-tetramethylpentoxybenzene has a molecular weight of 220.36 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethylpentoxybenzene is sourced from PubChem (CID 70425921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).