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

C20H42O6 — CID 159182177

IUPACbutan-2-ol;5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol
SMILESCCC(C)O.CCCC1OC(CC)CC(CC(CC(C)O)OC(C)O)O1
InChIInChI=1S/C16H32O5.C4H10O/c1-5-7-16-20-13(6-2)9-15(21-16)10-14(8-11(3)17)19-12(4)18;1-3-4(2)5/h11-18H,5-10H2,1-4H3;4-5H,3H2,1-2H3
InChIKeyKNAQMRRYPXLABU-UHFFFAOYSA-N
MW378.55 g/mol
LogP3.36
Rot. Bonds10

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

butan-2-ol;5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol (PubChem CID 159182177) has the molecular formula C20H42O6 and a molecular weight of 378.55 g/mol. Its IUPAC name is butan-2-ol;5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol.

Molecular Properties

Compound Namebutan-2-ol;5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol
PubChem CID159182177
Molecular FormulaC20H42O6
Molecular Weight378.55 g/mol
Exact Mass378.30
IUPAC Namebutan-2-ol;5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol
SMILESCCC(C)O.CCCC1OC(CC)CC(CC(CC(C)O)OC(C)O)O1
InChIInChI=1S/C16H32O5.C4H10O/c1-5-7-16-20-13(6-2)9-15(21-16)10-14(8-11(3)17)19-12(4)18;1-3-4(2)5/h11-18H,5-10H2,1-4H3;4-5H,3H2,1-2H3
InChIKeyKNAQMRRYPXLABU-UHFFFAOYSA-N
XLogP3.36
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol
CID 159182178
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
butan-2-ol;2,3-diethyloxirane
CID 174728518
butan-2-ol;butan-2-yl acetate;4-ethyl-2,6-dimethyl-1,3-dioxane
CID 160815637
[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
butan-2-ol;4-ethyl-6-methyl-2-phenyl-1,3-dioxane
CID 91399868
butan-2-ol;2-methyloxirane
CID 161079441

Frequently Asked Questions

What is the IUPAC name of butan-2-ol;5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol?
The IUPAC name of butan-2-ol;5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol (CID 159182177) is butan-2-ol;5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol.
What is the SMILES notation for butan-2-ol;5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol?
The canonical SMILES for butan-2-ol;5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol is CCC(C)O.CCCC1OC(CC)CC(CC(CC(C)O)OC(C)O)O1.
What is the InChIKey of butan-2-ol;5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol?
The InChIKey is KNAQMRRYPXLABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O5.C4H10O/c1-5-7-16-20-13(6-2)9-15(21-16)10-14(8-11(3)17)19-12(4)18;1-3-4(2)5/h11-18H,5-10H2,1-4H3;4-5H,3H2,1-2H3.
What are the key properties of butan-2-ol;5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol?
butan-2-ol;5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol has a molecular weight of 378.55 g/mol, XLogP of 3.36, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ol;5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol is sourced from PubChem (CID 159182177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).