10-methylundecyl hydrogen carbonate

C13H26O3 — CID 19420109

IUPAC10-methylundecyl hydrogen carbonate
SMILESCC(C)CCCCCCCCCOC(=O)O
InChIInChI=1S/C13H26O3/c1-12(2)10-8-6-4-3-5-7-9-11-16-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
InChIKeyQEQGZMQIJJHKKE-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.46
Rot. Bonds10

About 10-methylundecyl hydrogen carbonate

10-methylundecyl hydrogen carbonate (PubChem CID 19420109) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 10-methylundecyl hydrogen carbonate.

Molecular Properties

Compound Name10-methylundecyl hydrogen carbonate
PubChem CID19420109
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name10-methylundecyl hydrogen carbonate
SMILESCC(C)CCCCCCCCCOC(=O)O
InChIInChI=1S/C13H26O3/c1-12(2)10-8-6-4-3-5-7-9-11-16-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)
InChIKeyQEQGZMQIJJHKKE-UHFFFAOYSA-N
XLogP4.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 10-methylundecyl hydrogen carbonate?
The IUPAC name of 10-methylundecyl hydrogen carbonate (CID 19420109) is 10-methylundecyl hydrogen carbonate.
What is the SMILES notation for 10-methylundecyl hydrogen carbonate?
The canonical SMILES for 10-methylundecyl hydrogen carbonate is CC(C)CCCCCCCCCOC(=O)O.
What is the InChIKey of 10-methylundecyl hydrogen carbonate?
The InChIKey is QEQGZMQIJJHKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-12(2)10-8-6-4-3-5-7-9-11-16-13(14)15/h12H,3-11H2,1-2H3,(H,14,15).
What are the key properties of 10-methylundecyl hydrogen carbonate?
10-methylundecyl hydrogen carbonate has a molecular weight of 230.35 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylundecyl hydrogen carbonate is sourced from PubChem (CID 19420109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).