3-methyldec-2-ene

C11H22 — CID 550799

IUPAC3-methyldec-2-ene
SMILESCC=C(C)CCCCCCC
InChIInChI=1S/C11H22/c1-4-6-7-8-9-10-11(3)5-2/h5H,4,6-10H2,1-3H3
InChIKeyORVUCTLMJXASEY-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.31
Rot. Bonds6

About 3-methyldec-2-ene

3-methyldec-2-ene (PubChem CID 550799) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 3-methyldec-2-ene.

Molecular Properties

Compound Name3-methyldec-2-ene
PubChem CID550799
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name3-methyldec-2-ene
SMILESCC=C(C)CCCCCCC
InChIInChI=1S/C11H22/c1-4-6-7-8-9-10-11(3)5-2/h5H,4,6-10H2,1-3H3
InChIKeyORVUCTLMJXASEY-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.31
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 3-methyldec-2-ene?
The IUPAC name of 3-methyldec-2-ene (CID 550799) is 3-methyldec-2-ene.
What is the SMILES notation for 3-methyldec-2-ene?
The canonical SMILES for 3-methyldec-2-ene is CC=C(C)CCCCCCC.
What is the InChIKey of 3-methyldec-2-ene?
The InChIKey is ORVUCTLMJXASEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-4-6-7-8-9-10-11(3)5-2/h5H,4,6-10H2,1-3H3.
What are the key properties of 3-methyldec-2-ene?
3-methyldec-2-ene has a molecular weight of 154.30 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyldec-2-ene is sourced from PubChem (CID 550799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).