2-methyl-2-(1,4,10-trioxa-7,13-diazacyclopentadec-7-ylmethyl)dodecan-1-ol

C24H50N2O4 — CID 122416747

IUPAC2-methyl-2-(1,4,10-trioxa-7,13-diazacyclopentadec-7-ylmethyl)dodecan-1-ol
SMILESCCCCCCCCCCC(C)(CO)CN1CCOCCNCCOCCOCC1
InChIInChI=1S/C24H50N2O4/c1-3-4-5-6-7-8-9-10-11-24(2,23-27)22-26-14-18-28-16-12-25-13-17-29-20-21-30-19-15-26/h25,27H,3-23H2,1-2H3
InChIKeyRSAWBTHHBDTVRE-UHFFFAOYSA-N
MW430.67 g/mol
LogP3.47
Rot. Bonds12

About 2-methyl-2-(1,4,10-trioxa-7,13-diazacyclopentadec-7-ylmethyl)dodecan-1-ol

2-methyl-2-(1,4,10-trioxa-7,13-diazacyclopentadec-7-ylmethyl)dodecan-1-ol (PubChem CID 122416747) has the molecular formula C24H50N2O4 and a molecular weight of 430.67 g/mol. Its IUPAC name is 2-methyl-2-(1,4,10-trioxa-7,13-diazacyclopentadec-7-ylmethyl)dodecan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(1,4,10-trioxa-7,13-diazacyclopentadec-7-ylmethyl)dodecan-1-ol
PubChem CID122416747
Molecular FormulaC24H50N2O4
Molecular Weight430.67 g/mol
Exact Mass430.38
IUPAC Name2-methyl-2-(1,4,10-trioxa-7,13-diazacyclopentadec-7-ylmethyl)dodecan-1-ol
SMILESCCCCCCCCCCC(C)(CO)CN1CCOCCNCCOCCOCC1
InChIInChI=1S/C24H50N2O4/c1-3-4-5-6-7-8-9-10-11-24(2,23-27)22-26-14-18-28-16-12-25-13-17-29-20-21-30-19-15-26/h25,27H,3-23H2,1-2H3
InChIKeyRSAWBTHHBDTVRE-UHFFFAOYSA-N
XLogP3.47
TPSA63.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.67
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,4,10-trioxa-7,13-diazacyclopentadec-7-ylmethyl)dodecan-1-ol?
The IUPAC name of 2-methyl-2-(1,4,10-trioxa-7,13-diazacyclopentadec-7-ylmethyl)dodecan-1-ol (CID 122416747) is 2-methyl-2-(1,4,10-trioxa-7,13-diazacyclopentadec-7-ylmethyl)dodecan-1-ol.
What is the SMILES notation for 2-methyl-2-(1,4,10-trioxa-7,13-diazacyclopentadec-7-ylmethyl)dodecan-1-ol?
The canonical SMILES for 2-methyl-2-(1,4,10-trioxa-7,13-diazacyclopentadec-7-ylmethyl)dodecan-1-ol is CCCCCCCCCCC(C)(CO)CN1CCOCCNCCOCCOCC1.
What is the InChIKey of 2-methyl-2-(1,4,10-trioxa-7,13-diazacyclopentadec-7-ylmethyl)dodecan-1-ol?
The InChIKey is RSAWBTHHBDTVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2O4/c1-3-4-5-6-7-8-9-10-11-24(2,23-27)22-26-14-18-28-16-12-25-13-17-29-20-21-30-19-15-26/h25,27H,3-23H2,1-2H3.
What are the key properties of 2-methyl-2-(1,4,10-trioxa-7,13-diazacyclopentadec-7-ylmethyl)dodecan-1-ol?
2-methyl-2-(1,4,10-trioxa-7,13-diazacyclopentadec-7-ylmethyl)dodecan-1-ol has a molecular weight of 430.67 g/mol, XLogP of 3.47, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,4,10-trioxa-7,13-diazacyclopentadec-7-ylmethyl)dodecan-1-ol is sourced from PubChem (CID 122416747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).