2,3-dimethylpentan-3-ol;3,4-dimethylpentan-1-ol;3,4-dimethylpentan-2-ol;2-ethyl-3-methylbutan-1-ol;2,2,3-trimethylbutan-1-ol

C35H80O5 — CID 161072484

IUPAC2,3-dimethylpentan-3-ol;3,4-dimethylpentan-1-ol;3,4-dimethylpentan-2-ol;2-ethyl-3-methylbutan-1-ol;2,2,3-trimethylbutan-1-ol
SMILESCC(C)C(C)(C)CO.CC(C)C(C)C(C)O.CC(C)C(C)CCO.CCC(C)(O)C(C)C.CCC(CO)C(C)C
InChIInChI=1S/5C7H16O/c1-6(2)7(3,4)5-8;1-6(2)7(3)4-5-8;1-5-7(4,8)6(2)3;1-5(2)6(3)7(4)8;1-4-7(5-8)6(2)3/h6,8H,5H2,1-4H3;6-8H,4-5H2,1-3H3;6,8H,5H2,1-4H3;5-8H,1-4H3;6-8H,4-5H2,1-3H3
InChIKeyUEVMPOGWOBFVOJ-UHFFFAOYSA-N
MW581.02 g/mol
LogP8.45
Rot. Bonds12

About 2,3-dimethylpentan-3-ol;3,4-dimethylpentan-1-ol;3,4-dimethylpentan-2-ol;2-ethyl-3-methylbutan-1-ol;2,2,3-trimethylbutan-1-ol

2,3-dimethylpentan-3-ol;3,4-dimethylpentan-1-ol;3,4-dimethylpentan-2-ol;2-ethyl-3-methylbutan-1-ol;2,2,3-trimethylbutan-1-ol (PubChem CID 161072484) has the molecular formula C35H80O5 and a molecular weight of 581.02 g/mol. Its IUPAC name is 2,3-dimethylpentan-3-ol;3,4-dimethylpentan-1-ol;3,4-dimethylpentan-2-ol;2-ethyl-3-methylbutan-1-ol;2,2,3-trimethylbutan-1-ol.

Molecular Properties

Compound Name2,3-dimethylpentan-3-ol;3,4-dimethylpentan-1-ol;3,4-dimethylpentan-2-ol;2-ethyl-3-methylbutan-1-ol;2,2,3-trimethylbutan-1-ol
PubChem CID161072484
Molecular FormulaC35H80O5
Molecular Weight581.02 g/mol
Exact Mass580.60
IUPAC Name2,3-dimethylpentan-3-ol;3,4-dimethylpentan-1-ol;3,4-dimethylpentan-2-ol;2-ethyl-3-methylbutan-1-ol;2,2,3-trimethylbutan-1-ol
SMILESCC(C)C(C)(C)CO.CC(C)C(C)C(C)O.CC(C)C(C)CCO.CCC(C)(O)C(C)C.CCC(CO)C(C)C
InChIInChI=1S/5C7H16O/c1-6(2)7(3,4)5-8;1-6(2)7(3)4-5-8;1-5-7(4,8)6(2)3;1-5(2)6(3)7(4)8;1-4-7(5-8)6(2)3/h6,8H,5H2,1-4H3;6-8H,4-5H2,1-3H3;6,8H,5H2,1-4H3;5-8H,1-4H3;6-8H,4-5H2,1-3H3
InChIKeyUEVMPOGWOBFVOJ-UHFFFAOYSA-N
XLogP8.45
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.02
LogP ≤ 58.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2,3-dimethylpentan-3-ol;3,4-dimethylpentan-1-ol;3,4-dimethylpentan-2-ol;2-ethyl-3-methylbutan-1-ol;2,2,3-trimethylbutan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpentan-3-ol;3,4-dimethylpentan-1-ol;3,4-dimethylpentan-2-ol;2-ethyl-3-methylbutan-1-ol;2,2,3-trimethylbutan-1-ol?
The IUPAC name of 2,3-dimethylpentan-3-ol;3,4-dimethylpentan-1-ol;3,4-dimethylpentan-2-ol;2-ethyl-3-methylbutan-1-ol;2,2,3-trimethylbutan-1-ol (CID 161072484) is 2,3-dimethylpentan-3-ol;3,4-dimethylpentan-1-ol;3,4-dimethylpentan-2-ol;2-ethyl-3-methylbutan-1-ol;2,2,3-trimethylbutan-1-ol.
What is the SMILES notation for 2,3-dimethylpentan-3-ol;3,4-dimethylpentan-1-ol;3,4-dimethylpentan-2-ol;2-ethyl-3-methylbutan-1-ol;2,2,3-trimethylbutan-1-ol?
The canonical SMILES for 2,3-dimethylpentan-3-ol;3,4-dimethylpentan-1-ol;3,4-dimethylpentan-2-ol;2-ethyl-3-methylbutan-1-ol;2,2,3-trimethylbutan-1-ol is CC(C)C(C)(C)CO.CC(C)C(C)C(C)O.CC(C)C(C)CCO.CCC(C)(O)C(C)C.CCC(CO)C(C)C.
What is the InChIKey of 2,3-dimethylpentan-3-ol;3,4-dimethylpentan-1-ol;3,4-dimethylpentan-2-ol;2-ethyl-3-methylbutan-1-ol;2,2,3-trimethylbutan-1-ol?
The InChIKey is UEVMPOGWOBFVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/5C7H16O/c1-6(2)7(3,4)5-8;1-6(2)7(3)4-5-8;1-5-7(4,8)6(2)3;1-5(2)6(3)7(4)8;1-4-7(5-8)6(2)3/h6,8H,5H2,1-4H3;6-8H,4-5H2,1-3H3;6,8H,5H2,1-4H3;5-8H,1-4H3;6-8H,4-5H2,1-3H3.
What are the key properties of 2,3-dimethylpentan-3-ol;3,4-dimethylpentan-1-ol;3,4-dimethylpentan-2-ol;2-ethyl-3-methylbutan-1-ol;2,2,3-trimethylbutan-1-ol?
2,3-dimethylpentan-3-ol;3,4-dimethylpentan-1-ol;3,4-dimethylpentan-2-ol;2-ethyl-3-methylbutan-1-ol;2,2,3-trimethylbutan-1-ol has a molecular weight of 581.02 g/mol, XLogP of 8.45, 12 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpentan-3-ol;3,4-dimethylpentan-1-ol;3,4-dimethylpentan-2-ol;2-ethyl-3-methylbutan-1-ol;2,2,3-trimethylbutan-1-ol is sourced from PubChem (CID 161072484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).