5-ethynyl-2-methylundec-2-ene

C14H24 — CID 13182632

IUPAC5-ethynyl-2-methylundec-2-ene
SMILESC#CC(CC=C(C)C)CCCCCC
InChIInChI=1S/C14H24/c1-5-7-8-9-10-14(6-2)12-11-13(3)4/h2,11,14H,5,7-10,12H2,1,3-4H3
InChIKeyFVUCWTGQVRJNOQ-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.56
Rot. Bonds7

About 5-ethynyl-2-methylundec-2-ene

5-ethynyl-2-methylundec-2-ene (PubChem CID 13182632) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 5-ethynyl-2-methylundec-2-ene.

Molecular Properties

Compound Name5-ethynyl-2-methylundec-2-ene
PubChem CID13182632
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name5-ethynyl-2-methylundec-2-ene
SMILESC#CC(CC=C(C)C)CCCCCC
InChIInChI=1S/C14H24/c1-5-7-8-9-10-14(6-2)12-11-13(3)4/h2,11,14H,5,7-10,12H2,1,3-4H3
InChIKeyFVUCWTGQVRJNOQ-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-2-methylundec-2-ene?
The IUPAC name of 5-ethynyl-2-methylundec-2-ene (CID 13182632) is 5-ethynyl-2-methylundec-2-ene.
What is the SMILES notation for 5-ethynyl-2-methylundec-2-ene?
The canonical SMILES for 5-ethynyl-2-methylundec-2-ene is C#CC(CC=C(C)C)CCCCCC.
What is the InChIKey of 5-ethynyl-2-methylundec-2-ene?
The InChIKey is FVUCWTGQVRJNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-5-7-8-9-10-14(6-2)12-11-13(3)4/h2,11,14H,5,7-10,12H2,1,3-4H3.
What are the key properties of 5-ethynyl-2-methylundec-2-ene?
5-ethynyl-2-methylundec-2-ene has a molecular weight of 192.35 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-2-methylundec-2-ene is sourced from PubChem (CID 13182632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).