1-[2-ethyl-4-(methoxymethyl)-2,4-dimethylhexyl]pyrrolidin-3-ol

C16H33NO2 — CID 146342444

IUPAC1-[2-ethyl-4-(methoxymethyl)-2,4-dimethylhexyl]pyrrolidin-3-ol
SMILESCCC(C)(COC)CC(C)(CC)CN1CCC(O)C1
InChIInChI=1S/C16H33NO2/c1-6-15(3,11-16(4,7-2)13-19-5)12-17-9-8-14(18)10-17/h14,18H,6-13H2,1-5H3
InChIKeyQVOGZQNUSLYNNB-UHFFFAOYSA-N
MW271.44 g/mol
LogP2.92
Rot. Bonds8

About 1-[2-ethyl-4-(methoxymethyl)-2,4-dimethylhexyl]pyrrolidin-3-ol

1-[2-ethyl-4-(methoxymethyl)-2,4-dimethylhexyl]pyrrolidin-3-ol (PubChem CID 146342444) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 1-[2-ethyl-4-(methoxymethyl)-2,4-dimethylhexyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-ethyl-4-(methoxymethyl)-2,4-dimethylhexyl]pyrrolidin-3-ol
PubChem CID146342444
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name1-[2-ethyl-4-(methoxymethyl)-2,4-dimethylhexyl]pyrrolidin-3-ol
SMILESCCC(C)(COC)CC(C)(CC)CN1CCC(O)C1
InChIInChI=1S/C16H33NO2/c1-6-15(3,11-16(4,7-2)13-19-5)12-17-9-8-14(18)10-17/h14,18H,6-13H2,1-5H3
InChIKeyQVOGZQNUSLYNNB-UHFFFAOYSA-N
XLogP2.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-4-(methoxymethyl)-2,4-dimethylhexyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-ethyl-4-(methoxymethyl)-2,4-dimethylhexyl]pyrrolidin-3-ol (CID 146342444) is 1-[2-ethyl-4-(methoxymethyl)-2,4-dimethylhexyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-ethyl-4-(methoxymethyl)-2,4-dimethylhexyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-ethyl-4-(methoxymethyl)-2,4-dimethylhexyl]pyrrolidin-3-ol is CCC(C)(COC)CC(C)(CC)CN1CCC(O)C1.
What is the InChIKey of 1-[2-ethyl-4-(methoxymethyl)-2,4-dimethylhexyl]pyrrolidin-3-ol?
The InChIKey is QVOGZQNUSLYNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-6-15(3,11-16(4,7-2)13-19-5)12-17-9-8-14(18)10-17/h14,18H,6-13H2,1-5H3.
What are the key properties of 1-[2-ethyl-4-(methoxymethyl)-2,4-dimethylhexyl]pyrrolidin-3-ol?
1-[2-ethyl-4-(methoxymethyl)-2,4-dimethylhexyl]pyrrolidin-3-ol has a molecular weight of 271.44 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-4-(methoxymethyl)-2,4-dimethylhexyl]pyrrolidin-3-ol is sourced from PubChem (CID 146342444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).