[3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclobutyl] carbamate

C16H31NO8 — CID 138695751

IUPAC[3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclobutyl] carbamate
SMILESNC(=O)OC1CC(COCCOCCOCCOCCOCCO)C1
InChIInChI=1S/C16H31NO8/c17-16(19)25-15-11-14(12-15)13-24-10-9-23-8-7-22-6-5-21-4-3-20-2-1-18/h14-15,18H,1-13H2,(H2,17,19)
InChIKeyQTLUXKCAXMDYEB-UHFFFAOYSA-N
MW365.42 g/mol
LogP-0.06
Rot. Bonds17

About [3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclobutyl] carbamate

[3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclobutyl] carbamate (PubChem CID 138695751) has the molecular formula C16H31NO8 and a molecular weight of 365.42 g/mol. Its IUPAC name is [3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclobutyl] carbamate.

Molecular Properties

Compound Name[3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclobutyl] carbamate
PubChem CID138695751
Molecular FormulaC16H31NO8
Molecular Weight365.42 g/mol
Exact Mass365.20
IUPAC Name[3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclobutyl] carbamate
SMILESNC(=O)OC1CC(COCCOCCOCCOCCOCCO)C1
InChIInChI=1S/C16H31NO8/c17-16(19)25-15-11-14(12-15)13-24-10-9-23-8-7-22-6-5-21-4-3-20-2-1-18/h14-15,18H,1-13H2,(H2,17,19)
InChIKeyQTLUXKCAXMDYEB-UHFFFAOYSA-N
XLogP-0.06
TPSA118.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-hydroxyethyl)cyclobutyl] carbamate
CID 175068010
[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclobutyl]carbamic acid
CID 138694811
[3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclobutyl]carbamic acid
CID 138694104
2-[2-(cyclopentylmethoxy)ethoxy]ethanol
CID 59001866
2-[2-[2-[2-(cyclohexylmethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 142615958
[(1R,3R)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclopentyl]carbamic acid
CID 138694512
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetamide
CID 87940620
(3-hydroxycyclobutyl) carbamate;hydrochloride
CID 175125432
(3-iodocyclobutyl) carbamate
CID 175447577
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703

Frequently Asked Questions

What is the IUPAC name of [3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclobutyl] carbamate?
The IUPAC name of [3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclobutyl] carbamate (CID 138695751) is [3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclobutyl] carbamate.
What is the SMILES notation for [3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclobutyl] carbamate?
The canonical SMILES for [3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclobutyl] carbamate is NC(=O)OC1CC(COCCOCCOCCOCCOCCO)C1.
What is the InChIKey of [3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclobutyl] carbamate?
The InChIKey is QTLUXKCAXMDYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO8/c17-16(19)25-15-11-14(12-15)13-24-10-9-23-8-7-22-6-5-21-4-3-20-2-1-18/h14-15,18H,1-13H2,(H2,17,19).
What are the key properties of [3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclobutyl] carbamate?
[3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclobutyl] carbamate has a molecular weight of 365.42 g/mol, XLogP of -0.06, 17 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclobutyl] carbamate is sourced from PubChem (CID 138695751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).