2,6-dimethylheptan-4-ol;methanol;2-methylnaphthalene

C21H34O2 — CID 19755832

IUPAC2,6-dimethylheptan-4-ol;methanol;2-methylnaphthalene
SMILESCC(C)CC(O)CC(C)C.CO.Cc1ccc2ccccc2c1
InChIInChI=1S/C11H10.C9H20O.CH4O/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-7(2)5-9(10)6-8(3)4;1-2/h2-8H,1H3;7-10H,5-6H2,1-4H3;2H,1H3
InChIKeyFYHMUZFHMIWXIO-UHFFFAOYSA-N
MW318.50 g/mol
LogP5.20
Rot. Bonds4

About 2,6-dimethylheptan-4-ol;methanol;2-methylnaphthalene

2,6-dimethylheptan-4-ol;methanol;2-methylnaphthalene (PubChem CID 19755832) has the molecular formula C21H34O2 and a molecular weight of 318.50 g/mol. Its IUPAC name is 2,6-dimethylheptan-4-ol;methanol;2-methylnaphthalene.

Molecular Properties

Compound Name2,6-dimethylheptan-4-ol;methanol;2-methylnaphthalene
PubChem CID19755832
Molecular FormulaC21H34O2
Molecular Weight318.50 g/mol
Exact Mass318.26
IUPAC Name2,6-dimethylheptan-4-ol;methanol;2-methylnaphthalene
SMILESCC(C)CC(O)CC(C)C.CO.Cc1ccc2ccccc2c1
InChIInChI=1S/C11H10.C9H20O.CH4O/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-7(2)5-9(10)6-8(3)4;1-2/h2-8H,1H3;7-10H,5-6H2,1-4H3;2H,1H3
InChIKeyFYHMUZFHMIWXIO-UHFFFAOYSA-N
XLogP5.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylheptan-4-ol;methanol;2-methylnaphthalene?
The IUPAC name of 2,6-dimethylheptan-4-ol;methanol;2-methylnaphthalene (CID 19755832) is 2,6-dimethylheptan-4-ol;methanol;2-methylnaphthalene.
What is the SMILES notation for 2,6-dimethylheptan-4-ol;methanol;2-methylnaphthalene?
The canonical SMILES for 2,6-dimethylheptan-4-ol;methanol;2-methylnaphthalene is CC(C)CC(O)CC(C)C.CO.Cc1ccc2ccccc2c1.
What is the InChIKey of 2,6-dimethylheptan-4-ol;methanol;2-methylnaphthalene?
The InChIKey is FYHMUZFHMIWXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10.C9H20O.CH4O/c1-9-6-7-10-4-2-3-5-11(10)8-9;1-7(2)5-9(10)6-8(3)4;1-2/h2-8H,1H3;7-10H,5-6H2,1-4H3;2H,1H3.
What are the key properties of 2,6-dimethylheptan-4-ol;methanol;2-methylnaphthalene?
2,6-dimethylheptan-4-ol;methanol;2-methylnaphthalene has a molecular weight of 318.50 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylheptan-4-ol;methanol;2-methylnaphthalene is sourced from PubChem (CID 19755832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).