2-[10-(2-hydroxyethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]ethanol

C12H26N2O4 — CID 576367

IUPAC2-[10-(2-hydroxyethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]ethanol
SMILESOCCN1CCOCCN(CCO)CCOCC1
InChIInChI=1S/C12H26N2O4/c15-7-1-13-3-9-17-11-5-14(2-8-16)6-12-18-10-4-13/h15-16H,1-12H2
InChIKeyQWDHRJHPWFVIEC-UHFFFAOYSA-N
MW262.35 g/mol
LogP-1.38
Rot. Bonds4

About 2-[10-(2-hydroxyethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]ethanol

2-[10-(2-hydroxyethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]ethanol (PubChem CID 576367) has the molecular formula C12H26N2O4 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[10-(2-hydroxyethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]ethanol.

Molecular Properties

Compound Name2-[10-(2-hydroxyethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]ethanol
PubChem CID576367
Molecular FormulaC12H26N2O4
Molecular Weight262.35 g/mol
Exact Mass262.19
IUPAC Name2-[10-(2-hydroxyethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]ethanol
SMILESOCCN1CCOCCN(CCO)CCOCC1
InChIInChI=1S/C12H26N2O4/c15-7-1-13-3-9-17-11-5-14(2-8-16)6-12-18-10-4-13/h15-16H,1-12H2
InChIKeyQWDHRJHPWFVIEC-UHFFFAOYSA-N
XLogP-1.38
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[10-(2-hydroxyethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]ethanol?
The IUPAC name of 2-[10-(2-hydroxyethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]ethanol (CID 576367) is 2-[10-(2-hydroxyethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]ethanol.
What is the SMILES notation for 2-[10-(2-hydroxyethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]ethanol?
The canonical SMILES for 2-[10-(2-hydroxyethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]ethanol is OCCN1CCOCCN(CCO)CCOCC1.
What is the InChIKey of 2-[10-(2-hydroxyethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]ethanol?
The InChIKey is QWDHRJHPWFVIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4/c15-7-1-13-3-9-17-11-5-14(2-8-16)6-12-18-10-4-13/h15-16H,1-12H2.
What are the key properties of 2-[10-(2-hydroxyethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]ethanol?
2-[10-(2-hydroxyethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]ethanol has a molecular weight of 262.35 g/mol, XLogP of -1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(2-hydroxyethyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]ethanol is sourced from PubChem (CID 576367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).