3-(propoxymethyl)pentan-3-ol

C9H20O2 — CID 79567363

IUPAC3-(propoxymethyl)pentan-3-ol
SMILESCCCOCC(O)(CC)CC
InChIInChI=1S/C9H20O2/c1-4-7-11-8-9(10,5-2)6-3/h10H,4-8H2,1-3H3
InChIKeyFNFKMJVRDHWAOR-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.96
Rot. Bonds6

About 3-(propoxymethyl)pentan-3-ol

3-(propoxymethyl)pentan-3-ol (PubChem CID 79567363) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 3-(propoxymethyl)pentan-3-ol.

Molecular Properties

Compound Name3-(propoxymethyl)pentan-3-ol
PubChem CID79567363
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name3-(propoxymethyl)pentan-3-ol
SMILESCCCOCC(O)(CC)CC
InChIInChI=1S/C9H20O2/c1-4-7-11-8-9(10,5-2)6-3/h10H,4-8H2,1-3H3
InChIKeyFNFKMJVRDHWAOR-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(propoxymethyl)pentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-propoxypentan-2-ol
CID 80558596
3-[2-(ethylamino)ethoxymethyl]pentan-3-ol
CID 106939555
1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propane-2,2-diol
CID 57214605
lanthanum;tris(2-methyl-1-propoxypropan-2-ol)
CID 87836481
3-ethyl-3-(propoxymethyl)pentane
CID 21035931
2,2-dichloro-1-propoxypropane
CID 91753628
5-amino-1-methoxy-2-(propoxymethyl)pentan-2-ol
CID 103391312
ethane;propane;1-propoxypropane
CID 143757970
ethane-1,2-diol;methane;1-propoxypropane
CID 19065615
2,2-dibromo-1-propoxypropane
CID 87234864
2-(3,3,4,4,4-pentafluorobutoxymethyl)pentane-1,2-diol
CID 158026669
1-propoxy-3-(3-propoxypropoxy)propane
CID 90943526

Frequently Asked Questions

What is the IUPAC name of 3-(propoxymethyl)pentan-3-ol?
The IUPAC name of 3-(propoxymethyl)pentan-3-ol (CID 79567363) is 3-(propoxymethyl)pentan-3-ol.
What is the SMILES notation for 3-(propoxymethyl)pentan-3-ol?
The canonical SMILES for 3-(propoxymethyl)pentan-3-ol is CCCOCC(O)(CC)CC.
What is the InChIKey of 3-(propoxymethyl)pentan-3-ol?
The InChIKey is FNFKMJVRDHWAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-4-7-11-8-9(10,5-2)6-3/h10H,4-8H2,1-3H3.
What are the key properties of 3-(propoxymethyl)pentan-3-ol?
3-(propoxymethyl)pentan-3-ol has a molecular weight of 160.26 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propoxymethyl)pentan-3-ol is sourced from PubChem (CID 79567363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).