[3,7,14-triethyl-3-(hydroxymethyl)-11-methyl-1,5,9,13-tetraoxaspiro[5.9]pentadecan-11-yl]methanol

C20H38O6 — CID 155327910

IUPAC[3,7,14-triethyl-3-(hydroxymethyl)-11-methyl-1,5,9,13-tetraoxaspiro[5.9]pentadecan-11-yl]methanol
SMILESCCC1CC2(OCC(CC)(CO)CO2)C(CC)COCC(C)(CO)CO1
InChIInChI=1S/C20H38O6/c1-5-16-9-23-12-18(4,10-21)13-24-17(6-2)8-20(16)25-14-19(7-3,11-22)15-26-20/h16-17,21-22H,5-15H2,1-4H3
InChIKeyYHUCMHKVMRFQSD-UHFFFAOYSA-N
MW374.52 g/mol
LogP2.36
Rot. Bonds5

About [3,7,14-triethyl-3-(hydroxymethyl)-11-methyl-1,5,9,13-tetraoxaspiro[5.9]pentadecan-11-yl]methanol

[3,7,14-triethyl-3-(hydroxymethyl)-11-methyl-1,5,9,13-tetraoxaspiro[5.9]pentadecan-11-yl]methanol (PubChem CID 155327910) has the molecular formula C20H38O6 and a molecular weight of 374.52 g/mol. Its IUPAC name is [3,7,14-triethyl-3-(hydroxymethyl)-11-methyl-1,5,9,13-tetraoxaspiro[5.9]pentadecan-11-yl]methanol.

Molecular Properties

Compound Name[3,7,14-triethyl-3-(hydroxymethyl)-11-methyl-1,5,9,13-tetraoxaspiro[5.9]pentadecan-11-yl]methanol
PubChem CID155327910
Molecular FormulaC20H38O6
Molecular Weight374.52 g/mol
Exact Mass374.27
IUPAC Name[3,7,14-triethyl-3-(hydroxymethyl)-11-methyl-1,5,9,13-tetraoxaspiro[5.9]pentadecan-11-yl]methanol
SMILESCCC1CC2(OCC(CC)(CO)CO2)C(CC)COCC(C)(CO)CO1
InChIInChI=1S/C20H38O6/c1-5-16-9-23-12-18(4,10-21)13-24-17(6-2)8-20(16)25-14-19(7-3,11-22)15-26-20/h16-17,21-22H,5-15H2,1-4H3
InChIKeyYHUCMHKVMRFQSD-UHFFFAOYSA-N
XLogP2.36
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3,7,14-triethyl-3-(hydroxymethyl)-11-methyl-1,5,9,13-tetraoxaspiro[5.9]pentadecan-11-yl]methanol?
The IUPAC name of [3,7,14-triethyl-3-(hydroxymethyl)-11-methyl-1,5,9,13-tetraoxaspiro[5.9]pentadecan-11-yl]methanol (CID 155327910) is [3,7,14-triethyl-3-(hydroxymethyl)-11-methyl-1,5,9,13-tetraoxaspiro[5.9]pentadecan-11-yl]methanol.
What is the SMILES notation for [3,7,14-triethyl-3-(hydroxymethyl)-11-methyl-1,5,9,13-tetraoxaspiro[5.9]pentadecan-11-yl]methanol?
The canonical SMILES for [3,7,14-triethyl-3-(hydroxymethyl)-11-methyl-1,5,9,13-tetraoxaspiro[5.9]pentadecan-11-yl]methanol is CCC1CC2(OCC(CC)(CO)CO2)C(CC)COCC(C)(CO)CO1.
What is the InChIKey of [3,7,14-triethyl-3-(hydroxymethyl)-11-methyl-1,5,9,13-tetraoxaspiro[5.9]pentadecan-11-yl]methanol?
The InChIKey is YHUCMHKVMRFQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O6/c1-5-16-9-23-12-18(4,10-21)13-24-17(6-2)8-20(16)25-14-19(7-3,11-22)15-26-20/h16-17,21-22H,5-15H2,1-4H3.
What are the key properties of [3,7,14-triethyl-3-(hydroxymethyl)-11-methyl-1,5,9,13-tetraoxaspiro[5.9]pentadecan-11-yl]methanol?
[3,7,14-triethyl-3-(hydroxymethyl)-11-methyl-1,5,9,13-tetraoxaspiro[5.9]pentadecan-11-yl]methanol has a molecular weight of 374.52 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,7,14-triethyl-3-(hydroxymethyl)-11-methyl-1,5,9,13-tetraoxaspiro[5.9]pentadecan-11-yl]methanol is sourced from PubChem (CID 155327910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).