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

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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).