3,3,4-trimethyl-1-prop-1-en-2-ylborolane

C10H19B — CID 174303002

IUPAC3,3,4-trimethyl-1-prop-1-en-2-ylborolane
SMILESC=C(C)B1CC(C)C(C)(C)C1
InChIInChI=1S/C10H19B/c1-8(2)11-6-9(3)10(4,5)7-11/h9H,1,6-7H2,2-5H3
InChIKeySVFUSEDGFLKZPD-UHFFFAOYSA-N
MW150.07 g/mol
LogP3.27
Rot. Bonds1

About 3,3,4-trimethyl-1-prop-1-en-2-ylborolane

3,3,4-trimethyl-1-prop-1-en-2-ylborolane (PubChem CID 174303002) has the molecular formula C10H19B and a molecular weight of 150.07 g/mol. Its IUPAC name is 3,3,4-trimethyl-1-prop-1-en-2-ylborolane.

Molecular Properties

Compound Name3,3,4-trimethyl-1-prop-1-en-2-ylborolane
PubChem CID174303002
Molecular FormulaC10H19B
Molecular Weight150.07 g/mol
Exact Mass150.16
IUPAC Name3,3,4-trimethyl-1-prop-1-en-2-ylborolane
SMILESC=C(C)B1CC(C)C(C)(C)C1
InChIInChI=1S/C10H19B/c1-8(2)11-6-9(3)10(4,5)7-11/h9H,1,6-7H2,2-5H3
InChIKeySVFUSEDGFLKZPD-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.07
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4-trimethyl-1-prop-1-en-2-ylborolane?
The IUPAC name of 3,3,4-trimethyl-1-prop-1-en-2-ylborolane (CID 174303002) is 3,3,4-trimethyl-1-prop-1-en-2-ylborolane.
What is the SMILES notation for 3,3,4-trimethyl-1-prop-1-en-2-ylborolane?
The canonical SMILES for 3,3,4-trimethyl-1-prop-1-en-2-ylborolane is C=C(C)B1CC(C)C(C)(C)C1.
What is the InChIKey of 3,3,4-trimethyl-1-prop-1-en-2-ylborolane?
The InChIKey is SVFUSEDGFLKZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19B/c1-8(2)11-6-9(3)10(4,5)7-11/h9H,1,6-7H2,2-5H3.
What are the key properties of 3,3,4-trimethyl-1-prop-1-en-2-ylborolane?
3,3,4-trimethyl-1-prop-1-en-2-ylborolane has a molecular weight of 150.07 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethyl-1-prop-1-en-2-ylborolane is sourced from PubChem (CID 174303002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).