butane;2,4-dimethylphenol;2-methylpentane

C18H34O — CID 143520980

IUPACbutane;2,4-dimethylphenol;2-methylpentane
SMILESCCCC.CCCC(C)C.Cc1ccc(O)c(C)c1
InChIInChI=1S/C8H10O.C6H14.C4H10/c1-6-3-4-8(9)7(2)5-6;1-4-5-6(2)3;1-3-4-2/h3-5,9H,1-2H3;6H,4-5H2,1-3H3;3-4H2,1-2H3
InChIKeyJPOXFOXFTVETKS-UHFFFAOYSA-N
MW266.47 g/mol
LogP6.26
Rot. Bonds3

About butane;2,4-dimethylphenol;2-methylpentane

butane;2,4-dimethylphenol;2-methylpentane (PubChem CID 143520980) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is butane;2,4-dimethylphenol;2-methylpentane.

Molecular Properties

Compound Namebutane;2,4-dimethylphenol;2-methylpentane
PubChem CID143520980
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Namebutane;2,4-dimethylphenol;2-methylpentane
SMILESCCCC.CCCC(C)C.Cc1ccc(O)c(C)c1
InChIInChI=1S/C8H10O.C6H14.C4H10/c1-6-3-4-8(9)7(2)5-6;1-4-5-6(2)3;1-3-4-2/h3-5,9H,1-2H3;6H,4-5H2,1-3H3;3-4H2,1-2H3
InChIKeyJPOXFOXFTVETKS-UHFFFAOYSA-N
XLogP6.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethylphenol
CID 67713801
2,4-dimethylphenol;yttrium
CID 87733318
CID 175892141
CID 175892141
CID 172763014
CID 172763014
tris(2,4-dimethylphenol);trihydroxy(sulfanylidene)-λ5-phosphane
CID 71332905
4-[(2R,3R)-3-[(4-hydroxy-3-methylphenyl)methyl]-2-propylhexyl]-2-methylphenol
CID 121339044
2,4-dimethylphenol;(2Z,4Z)-hexa-2,4-diene
CID 142839370
2-(4-aminoheptyl)-4-methylphenol
CID 83922824
tert-butylphosphane;chromium;bis(2,4-dimethylphenol);hydrochloride
CID 87866072
2,3-dimethylphenol;2,4-dimethylphenol
CID 67827029
2,4-dimethylphenol;2,6-dimethylphenol;methane
CID 162172477
1-heptan-4-yl-2,4-dimethylbenzene
CID 142336118

Frequently Asked Questions

What is the IUPAC name of butane;2,4-dimethylphenol;2-methylpentane?
The IUPAC name of butane;2,4-dimethylphenol;2-methylpentane (CID 143520980) is butane;2,4-dimethylphenol;2-methylpentane.
What is the SMILES notation for butane;2,4-dimethylphenol;2-methylpentane?
The canonical SMILES for butane;2,4-dimethylphenol;2-methylpentane is CCCC.CCCC(C)C.Cc1ccc(O)c(C)c1.
What is the InChIKey of butane;2,4-dimethylphenol;2-methylpentane?
The InChIKey is JPOXFOXFTVETKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C6H14.C4H10/c1-6-3-4-8(9)7(2)5-6;1-4-5-6(2)3;1-3-4-2/h3-5,9H,1-2H3;6H,4-5H2,1-3H3;3-4H2,1-2H3.
What are the key properties of butane;2,4-dimethylphenol;2-methylpentane?
butane;2,4-dimethylphenol;2-methylpentane has a molecular weight of 266.47 g/mol, XLogP of 6.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2,4-dimethylphenol;2-methylpentane is sourced from PubChem (CID 143520980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).