8-methylnonyl hydrogen carbonate

C11H22O3 — CID 19420067

IUPAC8-methylnonyl hydrogen carbonate
SMILESCC(C)CCCCCCCOC(=O)O
InChIInChI=1S/C11H22O3/c1-10(2)8-6-4-3-5-7-9-14-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
InChIKeyWVTAVJMCMPIXGN-UHFFFAOYSA-N
MW202.29 g/mol
LogP3.68
Rot. Bonds8

About 8-methylnonyl hydrogen carbonate

8-methylnonyl hydrogen carbonate (PubChem CID 19420067) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 8-methylnonyl hydrogen carbonate.

Molecular Properties

Compound Name8-methylnonyl hydrogen carbonate
PubChem CID19420067
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name8-methylnonyl hydrogen carbonate
SMILESCC(C)CCCCCCCOC(=O)O
InChIInChI=1S/C11H22O3/c1-10(2)8-6-4-3-5-7-9-14-11(12)13/h10H,3-9H2,1-2H3,(H,12,13)
InChIKeyWVTAVJMCMPIXGN-UHFFFAOYSA-N
XLogP3.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 53.68
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 8-methylnonyl hydrogen carbonate?
The IUPAC name of 8-methylnonyl hydrogen carbonate (CID 19420067) is 8-methylnonyl hydrogen carbonate.
What is the SMILES notation for 8-methylnonyl hydrogen carbonate?
The canonical SMILES for 8-methylnonyl hydrogen carbonate is CC(C)CCCCCCCOC(=O)O.
What is the InChIKey of 8-methylnonyl hydrogen carbonate?
The InChIKey is WVTAVJMCMPIXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-10(2)8-6-4-3-5-7-9-14-11(12)13/h10H,3-9H2,1-2H3,(H,12,13).
What are the key properties of 8-methylnonyl hydrogen carbonate?
8-methylnonyl hydrogen carbonate has a molecular weight of 202.29 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylnonyl hydrogen carbonate is sourced from PubChem (CID 19420067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).