[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] hydrogen carbonate

C10H20O4 — CID 88896989

IUPAC[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] hydrogen carbonate
SMILESCC(C)(C)OCCC(C)(C)OC(=O)O
InChIInChI=1S/C10H20O4/c1-9(2,3)13-7-6-10(4,5)14-8(11)12/h6-7H2,1-5H3,(H,11,12)
InChIKeyRLUKCEPTOIMWMJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.66
Rot. Bonds4

About [2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] hydrogen carbonate

[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] hydrogen carbonate (PubChem CID 88896989) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is [2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] hydrogen carbonate
PubChem CID88896989
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] hydrogen carbonate
SMILESCC(C)(C)OCCC(C)(C)OC(=O)O
InChIInChI=1S/C10H20O4/c1-9(2,3)13-7-6-10(4,5)14-8(11)12/h6-7H2,1-5H3,(H,11,12)
InChIKeyRLUKCEPTOIMWMJ-UHFFFAOYSA-N
XLogP2.66
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] 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

2,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanoic acid
CID 112590814
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 546092
[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] 2,4,4-trimethyl-2-(2-methylbutan-2-yl)hexanoate
CID 88535293
3-[2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethylsulfanyl]propanoic acid
CID 155228839
1-O-[2-[bis[2-[5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-5-oxopentanoyl]oxyethyl]amino]ethyl] 5-O-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] pentanedioate
CID 91553093
2,3-didodecoxy-4-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxy-4-oxobutanoic acid
CID 129077500
[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] (E)-tetradec-9-enoate
CID 87726601
2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethyl 2-aminoprop-2-enoate
CID 163636275
[2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-yl] prop-2-enoate
CID 88942481
2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropan-2-yl-oxophosphanium
CID 123372545
N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide
CID 123807188
2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyethanethiol
CID 155178401

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] hydrogen carbonate?
The IUPAC name of [2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] hydrogen carbonate (CID 88896989) is [2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] hydrogen carbonate.
What is the SMILES notation for [2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] hydrogen carbonate?
The canonical SMILES for [2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] hydrogen carbonate is CC(C)(C)OCCC(C)(C)OC(=O)O.
What is the InChIKey of [2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] hydrogen carbonate?
The InChIKey is RLUKCEPTOIMWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-9(2,3)13-7-6-10(4,5)14-8(11)12/h6-7H2,1-5H3,(H,11,12).
What are the key properties of [2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] hydrogen carbonate?
[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] hydrogen carbonate has a molecular weight of 204.27 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl] hydrogen carbonate is sourced from PubChem (CID 88896989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).