butane;3-methylheptane;4-methylphenol

C19H36O — CID 155694275

IUPACbutane;3-methylheptane;4-methylphenol
SMILESCCCC.CCCCC(C)CC.Cc1ccc(O)cc1
InChIInChI=1S/C8H18.C7H8O.C4H10/c1-4-6-7-8(3)5-2;1-6-2-4-7(8)5-3-6;1-3-4-2/h8H,4-7H2,1-3H3;2-5,8H,1H3;3-4H2,1-2H3
InChIKeyKQMBSEXVIFYDPT-UHFFFAOYSA-N
MW280.50 g/mol
LogP6.73
Rot. Bonds5

About butane;3-methylheptane;4-methylphenol

butane;3-methylheptane;4-methylphenol (PubChem CID 155694275) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is butane;3-methylheptane;4-methylphenol.

Molecular Properties

Compound Namebutane;3-methylheptane;4-methylphenol
PubChem CID155694275
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Namebutane;3-methylheptane;4-methylphenol
SMILESCCCC.CCCCC(C)CC.Cc1ccc(O)cc1
InChIInChI=1S/C8H18.C7H8O.C4H10/c1-4-6-7-8(3)5-2;1-6-2-4-7(8)5-3-6;1-3-4-2/h8H,4-7H2,1-3H3;2-5,8H,1H3;3-4H2,1-2H3
InChIKeyKQMBSEXVIFYDPT-UHFFFAOYSA-N
XLogP6.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-methylphenol;2-methylpropane
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Frequently Asked Questions

What is the IUPAC name of butane;3-methylheptane;4-methylphenol?
The IUPAC name of butane;3-methylheptane;4-methylphenol (CID 155694275) is butane;3-methylheptane;4-methylphenol.
What is the SMILES notation for butane;3-methylheptane;4-methylphenol?
The canonical SMILES for butane;3-methylheptane;4-methylphenol is CCCC.CCCCC(C)CC.Cc1ccc(O)cc1.
What is the InChIKey of butane;3-methylheptane;4-methylphenol?
The InChIKey is KQMBSEXVIFYDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C7H8O.C4H10/c1-4-6-7-8(3)5-2;1-6-2-4-7(8)5-3-6;1-3-4-2/h8H,4-7H2,1-3H3;2-5,8H,1H3;3-4H2,1-2H3.
What are the key properties of butane;3-methylheptane;4-methylphenol?
butane;3-methylheptane;4-methylphenol has a molecular weight of 280.50 g/mol, XLogP of 6.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;3-methylheptane;4-methylphenol is sourced from PubChem (CID 155694275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).