4,6,8,10,12,14-hexamethyl-17-(octoxymethoxy)heptadecan-2-ol

C32H66O3 — CID 172545315

IUPAC4,6,8,10,12,14-hexamethyl-17-(octoxymethoxy)heptadecan-2-ol
SMILESCCCCCCCCOCOCCCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)O
InChIInChI=1S/C32H66O3/c1-9-10-11-12-13-14-17-34-25-35-18-15-16-26(2)19-27(3)20-28(4)21-29(5)22-30(6)23-31(7)24-32(8)33/h26-33H,9-25H2,1-8H3
InChIKeyWXKFTUBAFXWZQI-UHFFFAOYSA-N
MW498.88 g/mol
LogP9.66
Rot. Bonds25

About 4,6,8,10,12,14-hexamethyl-17-(octoxymethoxy)heptadecan-2-ol

4,6,8,10,12,14-hexamethyl-17-(octoxymethoxy)heptadecan-2-ol (PubChem CID 172545315) has the molecular formula C32H66O3 and a molecular weight of 498.88 g/mol. Its IUPAC name is 4,6,8,10,12,14-hexamethyl-17-(octoxymethoxy)heptadecan-2-ol.

Molecular Properties

Compound Name4,6,8,10,12,14-hexamethyl-17-(octoxymethoxy)heptadecan-2-ol
PubChem CID172545315
Molecular FormulaC32H66O3
Molecular Weight498.88 g/mol
Exact Mass498.50
IUPAC Name4,6,8,10,12,14-hexamethyl-17-(octoxymethoxy)heptadecan-2-ol
SMILESCCCCCCCCOCOCCCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)O
InChIInChI=1S/C32H66O3/c1-9-10-11-12-13-14-17-34-25-35-18-15-16-26(2)19-27(3)20-28(4)21-29(5)22-30(6)23-31(7)24-32(8)33/h26-33H,9-25H2,1-8H3
InChIKeyWXKFTUBAFXWZQI-UHFFFAOYSA-N
XLogP9.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.88
LogP ≤ 59.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyl-9-(nonoxymethoxy)nonan-2-ol
CID 172545168
4,6-dimethyl-9-(pentoxymethoxy)nonan-2-ol
CID 172545297
1-bromo-4,6,8,10,12,14-hexamethyl-17-(octoxymethoxy)heptadecane
CID 172545087
1-(decoxymethoxy)-14-iodo-4,6,8,10,12-pentamethylpentadecane
CID 172545369
1-[(6-chloro-4-methylheptoxy)methoxy]nonane
CID 172535231
1-(4-methylheptoxymethoxy)octane
CID 172535111
18-hexoxy-18-(1-hexoxy-17-hydroxy-5,7,9,11,13,15-hexamethyloctadecoxy)-4,6,8,10,12,14-hexamethyloctadecan-2-ol
CID 176549204
20-heptoxy-20-(1-heptoxy-19-hydroxy-5,7,9,11,13,15,17-heptamethylicosoxy)-4,6,8,10,12,14,16-heptamethylicosan-2-ol
CID 176549186
1-(butoxymethoxy)-8-chloro-4,6-dimethylnonane
CID 172545343
magnesium;1-(heptoxymethoxy)-4-methylheptane;iodide
CID 172535246
8-chloro-4,6-dimethyl-1-(propoxymethoxy)nonane
CID 172545057
(2S)-1-octoxypropan-2-ol
CID 55250295

Frequently Asked Questions

What is the IUPAC name of 4,6,8,10,12,14-hexamethyl-17-(octoxymethoxy)heptadecan-2-ol?
The IUPAC name of 4,6,8,10,12,14-hexamethyl-17-(octoxymethoxy)heptadecan-2-ol (CID 172545315) is 4,6,8,10,12,14-hexamethyl-17-(octoxymethoxy)heptadecan-2-ol.
What is the SMILES notation for 4,6,8,10,12,14-hexamethyl-17-(octoxymethoxy)heptadecan-2-ol?
The canonical SMILES for 4,6,8,10,12,14-hexamethyl-17-(octoxymethoxy)heptadecan-2-ol is CCCCCCCCOCOCCCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)O.
What is the InChIKey of 4,6,8,10,12,14-hexamethyl-17-(octoxymethoxy)heptadecan-2-ol?
The InChIKey is WXKFTUBAFXWZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66O3/c1-9-10-11-12-13-14-17-34-25-35-18-15-16-26(2)19-27(3)20-28(4)21-29(5)22-30(6)23-31(7)24-32(8)33/h26-33H,9-25H2,1-8H3.
What are the key properties of 4,6,8,10,12,14-hexamethyl-17-(octoxymethoxy)heptadecan-2-ol?
4,6,8,10,12,14-hexamethyl-17-(octoxymethoxy)heptadecan-2-ol has a molecular weight of 498.88 g/mol, XLogP of 9.66, 25 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8,10,12,14-hexamethyl-17-(octoxymethoxy)heptadecan-2-ol is sourced from PubChem (CID 172545315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).