butane;3-methylhexane;7-methylnaphthalen-2-ol

C22H36O — CID 144963554

IUPACbutane;3-methylhexane;7-methylnaphthalen-2-ol
SMILESCCCC.CCCC(C)CC.Cc1ccc2ccc(O)cc2c1
InChIInChI=1S/C11H10O.C7H16.C4H10/c1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-4-6-7(3)5-2;1-3-4-2/h2-7,12H,1H3;7H,4-6H2,1-3H3;3-4H2,1-2H3
InChIKeyIWVRICNQJGPKAJ-UHFFFAOYSA-N
MW316.53 g/mol
LogP7.49
Rot. Bonds4

About butane;3-methylhexane;7-methylnaphthalen-2-ol

butane;3-methylhexane;7-methylnaphthalen-2-ol (PubChem CID 144963554) has the molecular formula C22H36O and a molecular weight of 316.53 g/mol. Its IUPAC name is butane;3-methylhexane;7-methylnaphthalen-2-ol.

Molecular Properties

Compound Namebutane;3-methylhexane;7-methylnaphthalen-2-ol
PubChem CID144963554
Molecular FormulaC22H36O
Molecular Weight316.53 g/mol
Exact Mass316.28
IUPAC Namebutane;3-methylhexane;7-methylnaphthalen-2-ol
SMILESCCCC.CCCC(C)CC.Cc1ccc2ccc(O)cc2c1
InChIInChI=1S/C11H10O.C7H16.C4H10/c1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-4-6-7(3)5-2;1-3-4-2/h2-7,12H,1H3;7H,4-6H2,1-3H3;3-4H2,1-2H3
InChIKeyIWVRICNQJGPKAJ-UHFFFAOYSA-N
XLogP7.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.53
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butane;3-methylhexane;7-methylnaphthalen-2-ol?
The IUPAC name of butane;3-methylhexane;7-methylnaphthalen-2-ol (CID 144963554) is butane;3-methylhexane;7-methylnaphthalen-2-ol.
What is the SMILES notation for butane;3-methylhexane;7-methylnaphthalen-2-ol?
The canonical SMILES for butane;3-methylhexane;7-methylnaphthalen-2-ol is CCCC.CCCC(C)CC.Cc1ccc2ccc(O)cc2c1.
What is the InChIKey of butane;3-methylhexane;7-methylnaphthalen-2-ol?
The InChIKey is IWVRICNQJGPKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O.C7H16.C4H10/c1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-4-6-7(3)5-2;1-3-4-2/h2-7,12H,1H3;7H,4-6H2,1-3H3;3-4H2,1-2H3.
What are the key properties of butane;3-methylhexane;7-methylnaphthalen-2-ol?
butane;3-methylhexane;7-methylnaphthalen-2-ol has a molecular weight of 316.53 g/mol, XLogP of 7.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;3-methylhexane;7-methylnaphthalen-2-ol is sourced from PubChem (CID 144963554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).