carboxy hydrogen carbonate;3-methylpent-1-ene

C8H14O5 — CID 175053878

IUPACcarboxy hydrogen carbonate;3-methylpent-1-ene
SMILESC=CC(C)CC.O=C(O)OC(=O)O
InChIInChI=1S/C6H12.C2H2O5/c1-4-6(3)5-2;3-1(4)7-2(5)6/h4,6H,1,5H2,2-3H3;(H,3,4)(H,5,6)
InChIKeyUAWFPERTPSYJIF-UHFFFAOYSA-N
MW190.19 g/mol
LogP2.58
Rot. Bonds2

About carboxy hydrogen carbonate;3-methylpent-1-ene

carboxy hydrogen carbonate;3-methylpent-1-ene (PubChem CID 175053878) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is carboxy hydrogen carbonate;3-methylpent-1-ene.

Molecular Properties

Compound Namecarboxy hydrogen carbonate;3-methylpent-1-ene
PubChem CID175053878
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Namecarboxy hydrogen carbonate;3-methylpent-1-ene
SMILESC=CC(C)CC.O=C(O)OC(=O)O
InChIInChI=1S/C6H12.C2H2O5/c1-4-6(3)5-2;3-1(4)7-2(5)6/h4,6H,1,5H2,2-3H3;(H,3,4)(H,5,6)
InChIKeyUAWFPERTPSYJIF-UHFFFAOYSA-N
XLogP2.58
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carboxy hydrogen carbonate;3-methylpent-1-ene?
The IUPAC name of carboxy hydrogen carbonate;3-methylpent-1-ene (CID 175053878) is carboxy hydrogen carbonate;3-methylpent-1-ene.
What is the SMILES notation for carboxy hydrogen carbonate;3-methylpent-1-ene?
The canonical SMILES for carboxy hydrogen carbonate;3-methylpent-1-ene is C=CC(C)CC.O=C(O)OC(=O)O.
What is the InChIKey of carboxy hydrogen carbonate;3-methylpent-1-ene?
The InChIKey is UAWFPERTPSYJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C2H2O5/c1-4-6(3)5-2;3-1(4)7-2(5)6/h4,6H,1,5H2,2-3H3;(H,3,4)(H,5,6).
What are the key properties of carboxy hydrogen carbonate;3-methylpent-1-ene?
carboxy hydrogen carbonate;3-methylpent-1-ene has a molecular weight of 190.19 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy hydrogen carbonate;3-methylpent-1-ene is sourced from PubChem (CID 175053878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).