(2-ethoxy-3-methylhexyl) hydrogen carbonate

C10H20O4 — CID 90300495

IUPAC(2-ethoxy-3-methylhexyl) hydrogen carbonate
SMILESCCCC(C)C(COC(=O)O)OCC
InChIInChI=1S/C10H20O4/c1-4-6-8(3)9(13-5-2)7-14-10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyBPOLRBHMDFEGQV-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.52
Rot. Bonds7

About (2-ethoxy-3-methylhexyl) hydrogen carbonate

(2-ethoxy-3-methylhexyl) hydrogen carbonate (PubChem CID 90300495) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2-ethoxy-3-methylhexyl) hydrogen carbonate.

Molecular Properties

Compound Name(2-ethoxy-3-methylhexyl) hydrogen carbonate
PubChem CID90300495
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name(2-ethoxy-3-methylhexyl) hydrogen carbonate
SMILESCCCC(C)C(COC(=O)O)OCC
InChIInChI=1S/C10H20O4/c1-4-6-8(3)9(13-5-2)7-14-10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyBPOLRBHMDFEGQV-UHFFFAOYSA-N
XLogP2.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-ethoxy-3-methylhexyl) hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxypentyl hydrogen carbonate
CID 139923190
1-bromo-2-ethoxy-3-methylhexane
CID 131861603
2-ethoxyoctyl hydrogen carbonate
CID 139923121
4-ethoxy-5-methyloctan-3-one
CID 83225739
carbonic acid;1,1-diethoxyethane
CID 87827362
ethyl 2-(diethoxymethyl)pentanoate
CID 24973425
bis(3-ethoxyheptan-2-yl) carbonate
CID 87841190
ethyl 2-[ethoxy(hydroxy)methyl]pentanoate
CID 123662696
2-hydroxyhexyl hydrogen carbonate
CID 87255598
2-pentan-2-ylpropanedioic acid
CID 11469359
2-octyldodecyl hydrogen carbonate
CID 89413986
ethyl 2-amino-3-hydroxy-4-methylheptanoate
CID 66206751

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-3-methylhexyl) hydrogen carbonate?
The IUPAC name of (2-ethoxy-3-methylhexyl) hydrogen carbonate (CID 90300495) is (2-ethoxy-3-methylhexyl) hydrogen carbonate.
What is the SMILES notation for (2-ethoxy-3-methylhexyl) hydrogen carbonate?
The canonical SMILES for (2-ethoxy-3-methylhexyl) hydrogen carbonate is CCCC(C)C(COC(=O)O)OCC.
What is the InChIKey of (2-ethoxy-3-methylhexyl) hydrogen carbonate?
The InChIKey is BPOLRBHMDFEGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-4-6-8(3)9(13-5-2)7-14-10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12).
What are the key properties of (2-ethoxy-3-methylhexyl) hydrogen carbonate?
(2-ethoxy-3-methylhexyl) hydrogen carbonate has a molecular weight of 204.27 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-3-methylhexyl) hydrogen carbonate is sourced from PubChem (CID 90300495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).