1-(2-methoxyethoxy)decan-4-yl hydrogen carbonate

C14H28O5 — CID 87841165

IUPAC1-(2-methoxyethoxy)decan-4-yl hydrogen carbonate
SMILESCCCCCCC(CCCOCCOC)OC(=O)O
InChIInChI=1S/C14H28O5/c1-3-4-5-6-8-13(19-14(15)16)9-7-10-18-12-11-17-2/h13H,3-12H2,1-2H3,(H,15,16)
InChIKeyNXKSFTQQRHUGDR-UHFFFAOYSA-N
MW276.37 g/mol
LogP3.46
Rot. Bonds13

About 1-(2-methoxyethoxy)decan-4-yl hydrogen carbonate

1-(2-methoxyethoxy)decan-4-yl hydrogen carbonate (PubChem CID 87841165) has the molecular formula C14H28O5 and a molecular weight of 276.37 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)decan-4-yl hydrogen carbonate.

Molecular Properties

Compound Name1-(2-methoxyethoxy)decan-4-yl hydrogen carbonate
PubChem CID87841165
Molecular FormulaC14H28O5
Molecular Weight276.37 g/mol
Exact Mass276.19
IUPAC Name1-(2-methoxyethoxy)decan-4-yl hydrogen carbonate
SMILESCCCCCCC(CCCOCCOC)OC(=O)O
InChIInChI=1S/C14H28O5/c1-3-4-5-6-8-13(19-14(15)16)9-7-10-18-12-11-17-2/h13H,3-12H2,1-2H3,(H,15,16)
InChIKeyNXKSFTQQRHUGDR-UHFFFAOYSA-N
XLogP3.46
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hexacosan-8-yl hydrogen carbonate
CID 87300461
heptadecan-9-yl hydrogen carbonate
CID 18183422
heptacosan-14-yl hydrogen carbonate
CID 87148310
icosan-10-yl hydrogen carbonate
CID 151448549
tricosan-7-yl hydrogen carbonate
CID 87300503
hexatriacontan-18-yl 4-(2-methoxyethoxy)butanoate;methane
CID 159675175
nonadecan-4-yl hydrogen carbonate
CID 87300318
1-hydroxypentadecan-3-yl hydrogen carbonate
CID 118165795
henicosan-3-yl hydrogen carbonate
CID 87300438
24-bromotetracosan-9-yl hydrogen carbonate
CID 172800180
1-ethoxydecan-2-yl hydrogen carbonate
CID 139923221
[(Z)-tetracont-9-en-18-yl] hydrogen carbonate
CID 88508610

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)decan-4-yl hydrogen carbonate?
The IUPAC name of 1-(2-methoxyethoxy)decan-4-yl hydrogen carbonate (CID 87841165) is 1-(2-methoxyethoxy)decan-4-yl hydrogen carbonate.
What is the SMILES notation for 1-(2-methoxyethoxy)decan-4-yl hydrogen carbonate?
The canonical SMILES for 1-(2-methoxyethoxy)decan-4-yl hydrogen carbonate is CCCCCCC(CCCOCCOC)OC(=O)O.
What is the InChIKey of 1-(2-methoxyethoxy)decan-4-yl hydrogen carbonate?
The InChIKey is NXKSFTQQRHUGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O5/c1-3-4-5-6-8-13(19-14(15)16)9-7-10-18-12-11-17-2/h13H,3-12H2,1-2H3,(H,15,16).
What are the key properties of 1-(2-methoxyethoxy)decan-4-yl hydrogen carbonate?
1-(2-methoxyethoxy)decan-4-yl hydrogen carbonate has a molecular weight of 276.37 g/mol, XLogP of 3.46, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)decan-4-yl hydrogen carbonate is sourced from PubChem (CID 87841165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).