2-hex-4-enyl-4-methyl-2-propan-2-ylbicyclo[1.1.0]butane

C14H24 — CID 90961338

IUPAC2-hex-4-enyl-4-methyl-2-propan-2-ylbicyclo[1.1.0]butane
SMILESCC=CCCCC1(C(C)C)C2C(C)C21
InChIInChI=1S/C14H24/c1-5-6-7-8-9-14(10(2)3)12-11(4)13(12)14/h5-6,10-13H,7-9H2,1-4H3
InChIKeyNDUSXMFDKMVVQM-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.27
Rot. Bonds5

About 2-hex-4-enyl-4-methyl-2-propan-2-ylbicyclo[1.1.0]butane

2-hex-4-enyl-4-methyl-2-propan-2-ylbicyclo[1.1.0]butane (PubChem CID 90961338) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 2-hex-4-enyl-4-methyl-2-propan-2-ylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-hex-4-enyl-4-methyl-2-propan-2-ylbicyclo[1.1.0]butane
PubChem CID90961338
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name2-hex-4-enyl-4-methyl-2-propan-2-ylbicyclo[1.1.0]butane
SMILESCC=CCCCC1(C(C)C)C2C(C)C21
InChIInChI=1S/C14H24/c1-5-6-7-8-9-14(10(2)3)12-11(4)13(12)14/h5-6,10-13H,7-9H2,1-4H3
InChIKeyNDUSXMFDKMVVQM-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hex-4-enyl-4-methyl-2-propan-2-ylbicyclo[1.1.0]butane?
The IUPAC name of 2-hex-4-enyl-4-methyl-2-propan-2-ylbicyclo[1.1.0]butane (CID 90961338) is 2-hex-4-enyl-4-methyl-2-propan-2-ylbicyclo[1.1.0]butane.
What is the SMILES notation for 2-hex-4-enyl-4-methyl-2-propan-2-ylbicyclo[1.1.0]butane?
The canonical SMILES for 2-hex-4-enyl-4-methyl-2-propan-2-ylbicyclo[1.1.0]butane is CC=CCCCC1(C(C)C)C2C(C)C21.
What is the InChIKey of 2-hex-4-enyl-4-methyl-2-propan-2-ylbicyclo[1.1.0]butane?
The InChIKey is NDUSXMFDKMVVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-5-6-7-8-9-14(10(2)3)12-11(4)13(12)14/h5-6,10-13H,7-9H2,1-4H3.
What are the key properties of 2-hex-4-enyl-4-methyl-2-propan-2-ylbicyclo[1.1.0]butane?
2-hex-4-enyl-4-methyl-2-propan-2-ylbicyclo[1.1.0]butane has a molecular weight of 192.35 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-4-enyl-4-methyl-2-propan-2-ylbicyclo[1.1.0]butane is sourced from PubChem (CID 90961338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).