3-methylbut-3-enyl 2-methylpropyl carbonate

C10H18O3 — CID 91694423

IUPAC3-methylbut-3-enyl 2-methylpropyl carbonate
SMILESC=C(C)CCOC(=O)OCC(C)C
InChIInChI=1S/C10H18O3/c1-8(2)5-6-12-10(11)13-7-9(3)4/h9H,1,5-7H2,2-4H3
InChIKeyBJKHUXZSZKSIAF-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.76
Rot. Bonds5

About 3-methylbut-3-enyl 2-methylpropyl carbonate

3-methylbut-3-enyl 2-methylpropyl carbonate (PubChem CID 91694423) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-methylbut-3-enyl 2-methylpropyl carbonate.

Molecular Properties

Compound Name3-methylbut-3-enyl 2-methylpropyl carbonate
PubChem CID91694423
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name3-methylbut-3-enyl 2-methylpropyl carbonate
SMILESC=C(C)CCOC(=O)OCC(C)C
InChIInChI=1S/C10H18O3/c1-8(2)5-6-12-10(11)13-7-9(3)4/h9H,1,5-7H2,2-4H3
InChIKeyBJKHUXZSZKSIAF-UHFFFAOYSA-N
XLogP2.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylbut-3-enyl 2-methylpropyl carbonate?
The IUPAC name of 3-methylbut-3-enyl 2-methylpropyl carbonate (CID 91694423) is 3-methylbut-3-enyl 2-methylpropyl carbonate.
What is the SMILES notation for 3-methylbut-3-enyl 2-methylpropyl carbonate?
The canonical SMILES for 3-methylbut-3-enyl 2-methylpropyl carbonate is C=C(C)CCOC(=O)OCC(C)C.
What is the InChIKey of 3-methylbut-3-enyl 2-methylpropyl carbonate?
The InChIKey is BJKHUXZSZKSIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(2)5-6-12-10(11)13-7-9(3)4/h9H,1,5-7H2,2-4H3.
What are the key properties of 3-methylbut-3-enyl 2-methylpropyl carbonate?
3-methylbut-3-enyl 2-methylpropyl carbonate has a molecular weight of 186.25 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-3-enyl 2-methylpropyl carbonate is sourced from PubChem (CID 91694423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).