2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl carbamate

C12H21NO6 — CID 175090580

IUPAC2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl carbamate
SMILESC#CCOCCOCCOCCOCCOC(N)=O
InChIInChI=1S/C12H21NO6/c1-2-3-15-4-5-16-6-7-17-8-9-18-10-11-19-12(13)14/h1H,3-11H2,(H2,13,14)
InChIKeyKJKBZSIKWAQDRD-UHFFFAOYSA-N
MW275.30 g/mol
LogP-0.22
Rot. Bonds13

About 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl carbamate

2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl carbamate (PubChem CID 175090580) has the molecular formula C12H21NO6 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl carbamate.

Molecular Properties

Compound Name2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl carbamate
PubChem CID175090580
Molecular FormulaC12H21NO6
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC Name2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl carbamate
SMILESC#CCOCCOCCOCCOCCOC(N)=O
InChIInChI=1S/C12H21NO6/c1-2-3-15-4-5-16-6-7-17-8-9-18-10-11-19-12(13)14/h1H,3-11H2,(H2,13,14)
InChIKeyKJKBZSIKWAQDRD-UHFFFAOYSA-N
XLogP-0.22
TPSA89.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

cyclobutane;3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 145370897
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 102203586
2-[2-(2-prop-2-ynoxycarbonyloxyethoxy)ethoxy]ethyl prop-2-ynyl carbonate
CID 71403471
2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl carbamate
CID 170160421
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl carbamate
CID 118597467
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 156597060
2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol
CID 11506589
CID 172894425
CID 172894425
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 130317798
7-prop-2-ynoxyheptanamide
CID 91308975
2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate
CID 177163981
methanamine;N-methyl-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide
CID 159160383

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl carbamate?
The IUPAC name of 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl carbamate (CID 175090580) is 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl carbamate.
What is the SMILES notation for 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl carbamate?
The canonical SMILES for 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl carbamate is C#CCOCCOCCOCCOCCOC(N)=O.
What is the InChIKey of 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl carbamate?
The InChIKey is KJKBZSIKWAQDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO6/c1-2-3-15-4-5-16-6-7-17-8-9-18-10-11-19-12(13)14/h1H,3-11H2,(H2,13,14).
What are the key properties of 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl carbamate?
2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl carbamate has a molecular weight of 275.30 g/mol, XLogP of -0.22, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl carbamate is sourced from PubChem (CID 175090580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).