4-ethyl-5-(3-hydroxy-3-methylbutoxy)-1-methoxy-4,5-dimethylhexan-2-ol

C16H34O4 — CID 167091008

IUPAC4-ethyl-5-(3-hydroxy-3-methylbutoxy)-1-methoxy-4,5-dimethylhexan-2-ol
SMILESCCC(C)(CC(O)COC)C(C)(C)OCCC(C)(C)O
InChIInChI=1S/C16H34O4/c1-8-16(6,11-13(17)12-19-7)15(4,5)20-10-9-14(2,3)18/h13,17-18H,8-12H2,1-7H3
InChIKeyYETJHXJFHJWGHK-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.76
Rot. Bonds10

About 4-ethyl-5-(3-hydroxy-3-methylbutoxy)-1-methoxy-4,5-dimethylhexan-2-ol

4-ethyl-5-(3-hydroxy-3-methylbutoxy)-1-methoxy-4,5-dimethylhexan-2-ol (PubChem CID 167091008) has the molecular formula C16H34O4 and a molecular weight of 290.44 g/mol. Its IUPAC name is 4-ethyl-5-(3-hydroxy-3-methylbutoxy)-1-methoxy-4,5-dimethylhexan-2-ol.

Molecular Properties

Compound Name4-ethyl-5-(3-hydroxy-3-methylbutoxy)-1-methoxy-4,5-dimethylhexan-2-ol
PubChem CID167091008
Molecular FormulaC16H34O4
Molecular Weight290.44 g/mol
Exact Mass290.25
IUPAC Name4-ethyl-5-(3-hydroxy-3-methylbutoxy)-1-methoxy-4,5-dimethylhexan-2-ol
SMILESCCC(C)(CC(O)COC)C(C)(C)OCCC(C)(C)O
InChIInChI=1S/C16H34O4/c1-8-16(6,11-13(17)12-19-7)15(4,5)20-10-9-14(2,3)18/h13,17-18H,8-12H2,1-7H3
InChIKeyYETJHXJFHJWGHK-UHFFFAOYSA-N
XLogP2.76
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(3-hydroxy-3-methylbutoxy)-1-methoxy-4,5-dimethylhexan-2-ol?
The IUPAC name of 4-ethyl-5-(3-hydroxy-3-methylbutoxy)-1-methoxy-4,5-dimethylhexan-2-ol (CID 167091008) is 4-ethyl-5-(3-hydroxy-3-methylbutoxy)-1-methoxy-4,5-dimethylhexan-2-ol.
What is the SMILES notation for 4-ethyl-5-(3-hydroxy-3-methylbutoxy)-1-methoxy-4,5-dimethylhexan-2-ol?
The canonical SMILES for 4-ethyl-5-(3-hydroxy-3-methylbutoxy)-1-methoxy-4,5-dimethylhexan-2-ol is CCC(C)(CC(O)COC)C(C)(C)OCCC(C)(C)O.
What is the InChIKey of 4-ethyl-5-(3-hydroxy-3-methylbutoxy)-1-methoxy-4,5-dimethylhexan-2-ol?
The InChIKey is YETJHXJFHJWGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4/c1-8-16(6,11-13(17)12-19-7)15(4,5)20-10-9-14(2,3)18/h13,17-18H,8-12H2,1-7H3.
What are the key properties of 4-ethyl-5-(3-hydroxy-3-methylbutoxy)-1-methoxy-4,5-dimethylhexan-2-ol?
4-ethyl-5-(3-hydroxy-3-methylbutoxy)-1-methoxy-4,5-dimethylhexan-2-ol has a molecular weight of 290.44 g/mol, XLogP of 2.76, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(3-hydroxy-3-methylbutoxy)-1-methoxy-4,5-dimethylhexan-2-ol is sourced from PubChem (CID 167091008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).