2-[3-[1-[4-(hydroxymethyl)-4-propan-2-yloxan-3-yl]propan-2-yl]oxolan-3-yl]propan-2-ol

C19H36O4 — CID 166854549

IUPAC2-[3-[1-[4-(hydroxymethyl)-4-propan-2-yloxan-3-yl]propan-2-yl]oxolan-3-yl]propan-2-ol
SMILESCC(C)C1(CO)CCOCC1CC(C)C1(C(C)(C)O)CCOC1
InChIInChI=1S/C19H36O4/c1-14(2)18(12-20)6-8-22-11-16(18)10-15(3)19(17(4,5)21)7-9-23-13-19/h14-16,20-21H,6-13H2,1-5H3
InChIKeyVBVWPTNFTQPGCO-UHFFFAOYSA-N
MW328.49 g/mol
LogP2.86
Rot. Bonds6

About 2-[3-[1-[4-(hydroxymethyl)-4-propan-2-yloxan-3-yl]propan-2-yl]oxolan-3-yl]propan-2-ol

2-[3-[1-[4-(hydroxymethyl)-4-propan-2-yloxan-3-yl]propan-2-yl]oxolan-3-yl]propan-2-ol (PubChem CID 166854549) has the molecular formula C19H36O4 and a molecular weight of 328.49 g/mol. Its IUPAC name is 2-[3-[1-[4-(hydroxymethyl)-4-propan-2-yloxan-3-yl]propan-2-yl]oxolan-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[1-[4-(hydroxymethyl)-4-propan-2-yloxan-3-yl]propan-2-yl]oxolan-3-yl]propan-2-ol
PubChem CID166854549
Molecular FormulaC19H36O4
Molecular Weight328.49 g/mol
Exact Mass328.26
IUPAC Name2-[3-[1-[4-(hydroxymethyl)-4-propan-2-yloxan-3-yl]propan-2-yl]oxolan-3-yl]propan-2-ol
SMILESCC(C)C1(CO)CCOCC1CC(C)C1(C(C)(C)O)CCOC1
InChIInChI=1S/C19H36O4/c1-14(2)18(12-20)6-8-22-11-16(18)10-15(3)19(17(4,5)21)7-9-23-13-19/h14-16,20-21H,6-13H2,1-5H3
InChIKeyVBVWPTNFTQPGCO-UHFFFAOYSA-N
XLogP2.86
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[1-[4-(hydroxymethyl)-4-propan-2-yloxan-3-yl]propan-2-yl]oxolan-3-yl]propan-2-ol with MolForge

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Related Compounds

2-Methyl-3-(2,3,3-triethyloxolan-2-yl)propan-1-ol
CID 140190912
5,5-Bis(hydroxymethyl)-6-(3-hydroxypropoxy)-6-(3-hydroxypropyl)nonane-1,4,9-triol
CID 22011215
2,2-Bis[2,22-dimethyl-12-(10-methylundecoxy)tricosan-12-yl]-13-methyl-3-(10-methylundecyl)tetradecane-1,3-diol
CID 22624757
2,2-Bis[2,18-dimethyl-10-(8-methylnonoxy)nonadecan-10-yl]-11-methyl-3-(8-methylnonyl)dodecane-1,3-diol
CID 22624758
(1S,2S,4R,5R)-3-tert-butyl-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-ol
CID 57666440
3-[5-(3,3-Dimethylbutan-2-yl)-2-pentyloxolan-3-yl]oxypropane-1,2-diol
CID 58426122
(1R,2S,4R,5S)-3-tert-butyl-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-ol
CID 71017919
2-(2,3-Dimethylnonan-2-yloxymethyl)-2-(hydroxymethyl)propane-1,3-diol
CID 87326548
2,2,4,7,7,8-Hexamethyldecane-1,4,6,9-tetrol
CID 88320923
2,3,3,7,8,9-Hexamethyldecane-2,4,7,9-tetrol
CID 88321457
2,3,4,7,8,8-Hexamethyldecane-1,4,6,9-tetrol
CID 88321620
5-(1-Hydroxy-2-methylpropyl)-5-(2-hydroxypropan-2-yl)nonane-3,6-diol
CID 89543875

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[4-(hydroxymethyl)-4-propan-2-yloxan-3-yl]propan-2-yl]oxolan-3-yl]propan-2-ol?
The IUPAC name of 2-[3-[1-[4-(hydroxymethyl)-4-propan-2-yloxan-3-yl]propan-2-yl]oxolan-3-yl]propan-2-ol (CID 166854549) is 2-[3-[1-[4-(hydroxymethyl)-4-propan-2-yloxan-3-yl]propan-2-yl]oxolan-3-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[1-[4-(hydroxymethyl)-4-propan-2-yloxan-3-yl]propan-2-yl]oxolan-3-yl]propan-2-ol?
The canonical SMILES for 2-[3-[1-[4-(hydroxymethyl)-4-propan-2-yloxan-3-yl]propan-2-yl]oxolan-3-yl]propan-2-ol is CC(C)C1(CO)CCOCC1CC(C)C1(C(C)(C)O)CCOC1.
What is the InChIKey of 2-[3-[1-[4-(hydroxymethyl)-4-propan-2-yloxan-3-yl]propan-2-yl]oxolan-3-yl]propan-2-ol?
The InChIKey is VBVWPTNFTQPGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O4/c1-14(2)18(12-20)6-8-22-11-16(18)10-15(3)19(17(4,5)21)7-9-23-13-19/h14-16,20-21H,6-13H2,1-5H3.
What are the key properties of 2-[3-[1-[4-(hydroxymethyl)-4-propan-2-yloxan-3-yl]propan-2-yl]oxolan-3-yl]propan-2-ol?
2-[3-[1-[4-(hydroxymethyl)-4-propan-2-yloxan-3-yl]propan-2-yl]oxolan-3-yl]propan-2-ol has a molecular weight of 328.49 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[4-(hydroxymethyl)-4-propan-2-yloxan-3-yl]propan-2-yl]oxolan-3-yl]propan-2-ol is sourced from PubChem (CID 166854549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).