3-methyldec-5-yne

C11H20 — CID 134995398

IUPAC3-methyldec-5-yne
SMILESCCCCC#CCC(C)CC
InChIInChI=1S/C11H20/c1-4-6-7-8-9-10-11(3)5-2/h11H,4-7,10H2,1-3H3
InChIKeyHZYRCWZQFUUESU-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.62
Rot. Bonds4

About 3-methyldec-5-yne

3-methyldec-5-yne (PubChem CID 134995398) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 3-methyldec-5-yne.

Molecular Properties

Compound Name3-methyldec-5-yne
PubChem CID134995398
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name3-methyldec-5-yne
SMILESCCCCC#CCC(C)CC
InChIInChI=1S/C11H20/c1-4-6-7-8-9-10-11(3)5-2/h11H,4-7,10H2,1-3H3
InChIKeyHZYRCWZQFUUESU-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyldec-5-yne?
The IUPAC name of 3-methyldec-5-yne (CID 134995398) is 3-methyldec-5-yne.
What is the SMILES notation for 3-methyldec-5-yne?
The canonical SMILES for 3-methyldec-5-yne is CCCCC#CCC(C)CC.
What is the InChIKey of 3-methyldec-5-yne?
The InChIKey is HZYRCWZQFUUESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-4-6-7-8-9-10-11(3)5-2/h11H,4-7,10H2,1-3H3.
What are the key properties of 3-methyldec-5-yne?
3-methyldec-5-yne has a molecular weight of 152.28 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyldec-5-yne is sourced from PubChem (CID 134995398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).