benzene-1,4-diol;2-methyl-3-(2-methylpentan-3-yloxy)pentane

C18H32O3 — CID 67743044

IUPACbenzene-1,4-diol;2-methyl-3-(2-methylpentan-3-yloxy)pentane
SMILESCCC(OC(CC)C(C)C)C(C)C.Oc1ccc(O)cc1
InChIInChI=1S/C12H26O.C6H6O2/c1-7-11(9(3)4)13-12(8-2)10(5)6;7-5-1-2-6(8)4-3-5/h9-12H,7-8H2,1-6H3;1-4,7-8H
InChIKeyCPQFDGFWTBSYNR-UHFFFAOYSA-N
MW296.45 g/mol
LogP4.97
Rot. Bonds6

About benzene-1,4-diol;2-methyl-3-(2-methylpentan-3-yloxy)pentane

benzene-1,4-diol;2-methyl-3-(2-methylpentan-3-yloxy)pentane (PubChem CID 67743044) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is benzene-1,4-diol;2-methyl-3-(2-methylpentan-3-yloxy)pentane.

Molecular Properties

Compound Namebenzene-1,4-diol;2-methyl-3-(2-methylpentan-3-yloxy)pentane
PubChem CID67743044
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Namebenzene-1,4-diol;2-methyl-3-(2-methylpentan-3-yloxy)pentane
SMILESCCC(OC(CC)C(C)C)C(C)C.Oc1ccc(O)cc1
InChIInChI=1S/C12H26O.C6H6O2/c1-7-11(9(3)4)13-12(8-2)10(5)6;7-5-1-2-6(8)4-3-5/h9-12H,7-8H2,1-6H3;1-4,7-8H
InChIKeyCPQFDGFWTBSYNR-UHFFFAOYSA-N
XLogP4.97
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;2-methyl-3-(2-methylpentan-3-yloxy)pentane?
The IUPAC name of benzene-1,4-diol;2-methyl-3-(2-methylpentan-3-yloxy)pentane (CID 67743044) is benzene-1,4-diol;2-methyl-3-(2-methylpentan-3-yloxy)pentane.
What is the SMILES notation for benzene-1,4-diol;2-methyl-3-(2-methylpentan-3-yloxy)pentane?
The canonical SMILES for benzene-1,4-diol;2-methyl-3-(2-methylpentan-3-yloxy)pentane is CCC(OC(CC)C(C)C)C(C)C.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;2-methyl-3-(2-methylpentan-3-yloxy)pentane?
The InChIKey is CPQFDGFWTBSYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.C6H6O2/c1-7-11(9(3)4)13-12(8-2)10(5)6;7-5-1-2-6(8)4-3-5/h9-12H,7-8H2,1-6H3;1-4,7-8H.
What are the key properties of benzene-1,4-diol;2-methyl-3-(2-methylpentan-3-yloxy)pentane?
benzene-1,4-diol;2-methyl-3-(2-methylpentan-3-yloxy)pentane has a molecular weight of 296.45 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;2-methyl-3-(2-methylpentan-3-yloxy)pentane is sourced from PubChem (CID 67743044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).