hex-1-ene;2-methylbut-1-ene

C11H22 — CID 172686626

IUPAChex-1-ene;2-methylbut-1-ene
SMILESC=C(C)CC.C=CCCCC
InChIInChI=1S/C6H12.C5H10/c1-3-5-6-4-2;1-4-5(2)3/h3H,1,4-6H2,2H3;2,4H2,1,3H3
InChIKeyBCUGRCDCWFVNQE-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.34
Rot. Bonds4

About hex-1-ene;2-methylbut-1-ene

hex-1-ene;2-methylbut-1-ene (PubChem CID 172686626) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is hex-1-ene;2-methylbut-1-ene.

Molecular Properties

Compound Namehex-1-ene;2-methylbut-1-ene
PubChem CID172686626
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Namehex-1-ene;2-methylbut-1-ene
SMILESC=C(C)CC.C=CCCCC
InChIInChI=1S/C6H12.C5H10/c1-3-5-6-4-2;1-4-5(2)3/h3H,1,4-6H2,2H3;2,4H2,1,3H3
InChIKeyBCUGRCDCWFVNQE-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.34
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 hex-1-ene;2-methylbut-1-ene?
The IUPAC name of hex-1-ene;2-methylbut-1-ene (CID 172686626) is hex-1-ene;2-methylbut-1-ene.
What is the SMILES notation for hex-1-ene;2-methylbut-1-ene?
The canonical SMILES for hex-1-ene;2-methylbut-1-ene is C=C(C)CC.C=CCCCC.
What is the InChIKey of hex-1-ene;2-methylbut-1-ene?
The InChIKey is BCUGRCDCWFVNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C5H10/c1-3-5-6-4-2;1-4-5(2)3/h3H,1,4-6H2,2H3;2,4H2,1,3H3.
What are the key properties of hex-1-ene;2-methylbut-1-ene?
hex-1-ene;2-methylbut-1-ene has a molecular weight of 154.30 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-ene;2-methylbut-1-ene is sourced from PubChem (CID 172686626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).