4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol

C12H26O6 — CID 177262211

IUPAC4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol
SMILESCOCC(O)CCOCCOCCC(O)COC
InChIInChI=1S/C12H26O6/c1-15-9-11(13)3-5-17-7-8-18-6-4-12(14)10-16-2/h11-14H,3-10H2,1-2H3
InChIKeyRZTAXXYIADCSLF-UHFFFAOYSA-N
MW266.33 g/mol
LogP-0.19
Rot. Bonds13

About 4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol

4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol (PubChem CID 177262211) has the molecular formula C12H26O6 and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol
PubChem CID177262211
Molecular FormulaC12H26O6
Molecular Weight266.33 g/mol
Exact Mass266.17
IUPAC Name4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol
SMILESCOCC(O)CCOCCOCCC(O)COC
InChIInChI=1S/C12H26O6/c1-15-9-11(13)3-5-17-7-8-18-6-4-12(14)10-16-2/h11-14H,3-10H2,1-2H3
InChIKeyRZTAXXYIADCSLF-UHFFFAOYSA-N
XLogP-0.19
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[8-(3-hydroxy-4-methoxybutoxy)octoxy]-1-methoxybutan-2-ol
CID 177262274
4-[2-hydroxy-3-(3-hydroxy-4-methoxybutoxy)propoxy]-1-methoxybutan-2-ol
CID 177262204
CID 177262276
CID 177262276
1-(2-butoxyethoxy)-4-[4-(2-butoxyethoxy)-3-hydroxybutoxy]butan-2-ol
CID 91607283
1-methoxy-5-propoxypentan-2-ol
CID 106455960
(2R,5S)-6-methoxyhexane-1,2,5-triol
CID 130342864
1-ethoxy-4-propoxybutan-2-ol
CID 105111761
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-methoxypropan-2-ol
CID 88655335
1-amino-4-[3-(2-methoxyethoxy)propoxy]butan-2-ol
CID 103407606
1-(2-methoxyethoxy)hept-6-yn-3-ol
CID 102927511
4-(2-methoxyethoxy)butan-2-ol
CID 21045149
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol?
The IUPAC name of 4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol (CID 177262211) is 4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol is COCC(O)CCOCCOCCC(O)COC.
What is the InChIKey of 4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol?
The InChIKey is RZTAXXYIADCSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O6/c1-15-9-11(13)3-5-17-7-8-18-6-4-12(14)10-16-2/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol?
4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol has a molecular weight of 266.33 g/mol, XLogP of -0.19, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol is sourced from PubChem (CID 177262211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).