4-[8-(3-hydroxy-4-methoxybutoxy)octoxy]-1-methoxybutan-2-ol

C18H38O6 — CID 177262274

IUPAC4-[8-(3-hydroxy-4-methoxybutoxy)octoxy]-1-methoxybutan-2-ol
SMILESCOCC(O)CCOCCCCCCCCOCCC(O)COC
InChIInChI=1S/C18H38O6/c1-21-15-17(19)9-13-23-11-7-5-3-4-6-8-12-24-14-10-18(20)16-22-2/h17-20H,3-16H2,1-2H3
InChIKeyJMCJXUZIUBRYAK-UHFFFAOYSA-N
MW350.50 g/mol
LogP2.15
Rot. Bonds19

About 4-[8-(3-hydroxy-4-methoxybutoxy)octoxy]-1-methoxybutan-2-ol

4-[8-(3-hydroxy-4-methoxybutoxy)octoxy]-1-methoxybutan-2-ol (PubChem CID 177262274) has the molecular formula C18H38O6 and a molecular weight of 350.50 g/mol. Its IUPAC name is 4-[8-(3-hydroxy-4-methoxybutoxy)octoxy]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[8-(3-hydroxy-4-methoxybutoxy)octoxy]-1-methoxybutan-2-ol
PubChem CID177262274
Molecular FormulaC18H38O6
Molecular Weight350.50 g/mol
Exact Mass350.27
IUPAC Name4-[8-(3-hydroxy-4-methoxybutoxy)octoxy]-1-methoxybutan-2-ol
SMILESCOCC(O)CCOCCCCCCCCOCCC(O)COC
InChIInChI=1S/C18H38O6/c1-21-15-17(19)9-13-23-11-7-5-3-4-6-8-12-24-14-10-18(20)16-22-2/h17-20H,3-16H2,1-2H3
InChIKeyJMCJXUZIUBRYAK-UHFFFAOYSA-N
XLogP2.15
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 52.15
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-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol
CID 177262211
4-[2-hydroxy-3-(3-hydroxy-4-methoxybutoxy)propoxy]-1-methoxybutan-2-ol
CID 177262204
1,4-dioctoxybutan-2-ol
CID 91047029
1-methoxy-5-propoxypentan-2-ol
CID 106455960
1,4-bis(4-bromobutoxy)butan-2-ol
CID 139648584
1-(2-butoxyethoxy)-4-[4-(2-butoxyethoxy)-3-hydroxybutoxy]butan-2-ol
CID 91607283
CID 177262276
CID 177262276
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453
1-amino-4-[3-(2-methoxyethoxy)propoxy]butan-2-ol
CID 103407606
4-(dimethylamino)-1-methoxybutan-2-ol
CID 115345876
1-octoxydecan-2-ol
CID 57119039
1-octadecoxyicosan-2-ol
CID 88758338

Frequently Asked Questions

What is the IUPAC name of 4-[8-(3-hydroxy-4-methoxybutoxy)octoxy]-1-methoxybutan-2-ol?
The IUPAC name of 4-[8-(3-hydroxy-4-methoxybutoxy)octoxy]-1-methoxybutan-2-ol (CID 177262274) is 4-[8-(3-hydroxy-4-methoxybutoxy)octoxy]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[8-(3-hydroxy-4-methoxybutoxy)octoxy]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[8-(3-hydroxy-4-methoxybutoxy)octoxy]-1-methoxybutan-2-ol is COCC(O)CCOCCCCCCCCOCCC(O)COC.
What is the InChIKey of 4-[8-(3-hydroxy-4-methoxybutoxy)octoxy]-1-methoxybutan-2-ol?
The InChIKey is JMCJXUZIUBRYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O6/c1-21-15-17(19)9-13-23-11-7-5-3-4-6-8-12-24-14-10-18(20)16-22-2/h17-20H,3-16H2,1-2H3.
What are the key properties of 4-[8-(3-hydroxy-4-methoxybutoxy)octoxy]-1-methoxybutan-2-ol?
4-[8-(3-hydroxy-4-methoxybutoxy)octoxy]-1-methoxybutan-2-ol has a molecular weight of 350.50 g/mol, XLogP of 2.15, 19 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(3-hydroxy-4-methoxybutoxy)octoxy]-1-methoxybutan-2-ol is sourced from PubChem (CID 177262274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).