5-methylundec-1-ene

C12H24 — CID 522550

IUPAC5-methylundec-1-ene
SMILESC=CCCC(C)CCCCCC
InChIInChI=1S/C12H24/c1-4-6-8-9-11-12(3)10-7-5-2/h5,12H,2,4,6-11H2,1,3H3
InChIKeyHNWYNXVFBLSLQE-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.56
Rot. Bonds8

About 5-methylundec-1-ene

5-methylundec-1-ene (PubChem CID 522550) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 5-methylundec-1-ene.

Molecular Properties

Compound Name5-methylundec-1-ene
PubChem CID522550
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name5-methylundec-1-ene
SMILESC=CCCC(C)CCCCCC
InChIInChI=1S/C12H24/c1-4-6-8-9-11-12(3)10-7-5-2/h5,12H,2,4,6-11H2,1,3H3
InChIKeyHNWYNXVFBLSLQE-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.56
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 5-methylundec-1-ene?
The IUPAC name of 5-methylundec-1-ene (CID 522550) is 5-methylundec-1-ene.
What is the SMILES notation for 5-methylundec-1-ene?
The canonical SMILES for 5-methylundec-1-ene is C=CCCC(C)CCCCCC.
What is the InChIKey of 5-methylundec-1-ene?
The InChIKey is HNWYNXVFBLSLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-4-6-8-9-11-12(3)10-7-5-2/h5,12H,2,4,6-11H2,1,3H3.
What are the key properties of 5-methylundec-1-ene?
5-methylundec-1-ene has a molecular weight of 168.32 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylundec-1-ene is sourced from PubChem (CID 522550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).