2-methylundec-2-ene

C12H24 — CID 549973

IUPAC2-methylundec-2-ene
SMILESCCCCCCCCC=C(C)C
InChIInChI=1S/C12H24/c1-4-5-6-7-8-9-10-11-12(2)3/h11H,4-10H2,1-3H3
InChIKeySMDXUIYTBVHJNX-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.70
Rot. Bonds7

About 2-methylundec-2-ene

2-methylundec-2-ene (PubChem CID 549973) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 2-methylundec-2-ene.

Molecular Properties

Compound Name2-methylundec-2-ene
PubChem CID549973
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name2-methylundec-2-ene
SMILESCCCCCCCCC=C(C)C
InChIInChI=1S/C12H24/c1-4-5-6-7-8-9-10-11-12(2)3/h11H,4-10H2,1-3H3
InChIKeySMDXUIYTBVHJNX-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.70
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-methylundec-2-ene?
The IUPAC name of 2-methylundec-2-ene (CID 549973) is 2-methylundec-2-ene.
What is the SMILES notation for 2-methylundec-2-ene?
The canonical SMILES for 2-methylundec-2-ene is CCCCCCCCC=C(C)C.
What is the InChIKey of 2-methylundec-2-ene?
The InChIKey is SMDXUIYTBVHJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-4-5-6-7-8-9-10-11-12(2)3/h11H,4-10H2,1-3H3.
What are the key properties of 2-methylundec-2-ene?
2-methylundec-2-ene has a molecular weight of 168.32 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylundec-2-ene is sourced from PubChem (CID 549973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).