5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol

C16H32O5 — CID 159182178

IUPAC5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol
SMILESCCCC1OC(CC)CC(CC(CC(C)O)OC(C)O)O1
InChIInChI=1S/C16H32O5/c1-5-7-16-20-13(6-2)9-15(21-16)10-14(8-11(3)17)19-12(4)18/h11-18H,5-10H2,1-4H3
InChIKeyHUGISNFTWVFOKG-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.58
Rot. Bonds9

About 5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol

5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol (PubChem CID 159182178) has the molecular formula C16H32O5 and a molecular weight of 304.43 g/mol. Its IUPAC name is 5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol.

Molecular Properties

Compound Name5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol
PubChem CID159182178
Molecular FormulaC16H32O5
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol
SMILESCCCC1OC(CC)CC(CC(CC(C)O)OC(C)O)O1
InChIInChI=1S/C16H32O5/c1-5-7-16-20-13(6-2)9-15(21-16)10-14(8-11(3)17)19-12(4)18/h11-18H,5-10H2,1-4H3
InChIKeyHUGISNFTWVFOKG-UHFFFAOYSA-N
XLogP2.58
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-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

butan-2-ol;5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol
CID 159182177
4-acetyloxyhexan-2-yl acetate;butan-2-ol;4-ethyl-6-methyl-2-propyl-1,3-dioxane
CID 160642242
[5-[6-[(6-ethyl-2-propyl-1,3-dioxan-4-yl)methyl]-2-pentyl-1,3-dioxan-4-yl]-4-hydroxypentan-2-yl] acetate
CID 23404585
2-(4,6-diethyl-1,3-dioxan-2-yl)ethylazanium
CID 20663775
5-methanidyl-6-(6-methyl-2-propyl-1,3-dioxan-4-yl)hexan-3-ol;yttrium
CID 59611839
[5-[6-[(6-ethyl-2-methyl-1,3-dioxan-4-yl)methyl]-2-propyl-1,3-dioxan-4-yl]-4-hydroxy-1-[6-methyl-2-(4-methylphenyl)-1,3-dioxan-4-yl]pentan-2-yl] acetate
CID 20584100
[1-(2-ethyl-8,8,9,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-4-yl)-4-hydroxypentan-2-yl] acetate
CID 54542667
1-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-6-ethyl-1,3-dioxan-4-yl]propan-2-ol
CID 91574002
4-ethyloxetan-2-ol
CID 151879220
1-[2-[4-(2-ethenoxyethynoxy)phenyl]-6-ethyl-1,3-dioxan-4-yl]propan-2-ol
CID 21365398
1-[1-[2-[3-(2-ethenoxyethoxy)phenyl]-6-ethyl-1,3-dioxan-4-yl]propan-2-yloxy]ethanol
CID 89293321
4-(2-hydroxynonan-4-yloxy)nonan-2-ol
CID 70302296

Frequently Asked Questions

What is the IUPAC name of 5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol?
The IUPAC name of 5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol (CID 159182178) is 5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol.
What is the SMILES notation for 5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol?
The canonical SMILES for 5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol is CCCC1OC(CC)CC(CC(CC(C)O)OC(C)O)O1.
What is the InChIKey of 5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol?
The InChIKey is HUGISNFTWVFOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5/c1-5-7-16-20-13(6-2)9-15(21-16)10-14(8-11(3)17)19-12(4)18/h11-18H,5-10H2,1-4H3.
What are the key properties of 5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol?
5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol has a molecular weight of 304.43 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol is sourced from PubChem (CID 159182178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).