4-(2-methoxyethoxy)pentan-2-ol

C8H18O3 — CID 64721506

IUPAC4-(2-methoxyethoxy)pentan-2-ol
SMILESCOCCOC(C)CC(C)O
InChIInChI=1S/C8H18O3/c1-7(9)6-8(2)11-5-4-10-3/h7-9H,4-6H2,1-3H3
InChIKeyCOOLKXFWSJKQQK-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.81
Rot. Bonds6

About 4-(2-methoxyethoxy)pentan-2-ol

4-(2-methoxyethoxy)pentan-2-ol (PubChem CID 64721506) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)pentan-2-ol.

Molecular Properties

Compound Name4-(2-methoxyethoxy)pentan-2-ol
PubChem CID64721506
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name4-(2-methoxyethoxy)pentan-2-ol
SMILESCOCCOC(C)CC(C)O
InChIInChI=1S/C8H18O3/c1-7(9)6-8(2)11-5-4-10-3/h7-9H,4-6H2,1-3H3
InChIKeyCOOLKXFWSJKQQK-UHFFFAOYSA-N
XLogP0.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminoethoxy)pentan-2-ol
CID 173098597
(2R)-2-(2-methoxyethoxy)propan-1-ol
CID 118089106
ethane;2-(2-methoxyethoxy)butane
CID 168922397
(2R,4S)-4-methoxypentan-2-ol
CID 59003340
1,2-dimethoxyethane;propane-1,2-diol
CID 87359366
3,5-bis(2-methoxyethoxy)hexanamide
CID 177091075
1,2-bis[2-(2-methoxyethoxy)ethoxy]ethane-1,2-diol
CID 155319585
N-ethyl-4-(2-methoxyethoxy)pentan-2-amine
CID 64708312
4-(2-methoxyethoxy)pentan-2-one
CID 64697954
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propan-1-ol
CID 78062387
1-[2-(1-methoxypropan-2-yloxy)ethoxy]propan-2-ol
CID 18709988
4-(2-methoxyethoxy)pentanoic acid
CID 62215225

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)pentan-2-ol?
The IUPAC name of 4-(2-methoxyethoxy)pentan-2-ol (CID 64721506) is 4-(2-methoxyethoxy)pentan-2-ol.
What is the SMILES notation for 4-(2-methoxyethoxy)pentan-2-ol?
The canonical SMILES for 4-(2-methoxyethoxy)pentan-2-ol is COCCOC(C)CC(C)O.
What is the InChIKey of 4-(2-methoxyethoxy)pentan-2-ol?
The InChIKey is COOLKXFWSJKQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-7(9)6-8(2)11-5-4-10-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 4-(2-methoxyethoxy)pentan-2-ol?
4-(2-methoxyethoxy)pentan-2-ol has a molecular weight of 162.23 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)pentan-2-ol is sourced from PubChem (CID 64721506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).