5-ethyl-6-methylhept-2-yne

C10H18 — CID 22224299

IUPAC5-ethyl-6-methylhept-2-yne
SMILESCC#CCC(CC)C(C)C
InChIInChI=1S/C10H18/c1-5-7-8-10(6-2)9(3)4/h9-10H,6,8H2,1-4H3
InChIKeyNYTQFHIBKLVQMI-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.08
Rot. Bonds3

About 5-ethyl-6-methylhept-2-yne

5-ethyl-6-methylhept-2-yne (PubChem CID 22224299) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 5-ethyl-6-methylhept-2-yne.

Molecular Properties

Compound Name5-ethyl-6-methylhept-2-yne
PubChem CID22224299
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name5-ethyl-6-methylhept-2-yne
SMILESCC#CCC(CC)C(C)C
InChIInChI=1S/C10H18/c1-5-7-8-10(6-2)9(3)4/h9-10H,6,8H2,1-4H3
InChIKeyNYTQFHIBKLVQMI-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methylhept-2-yne?
The IUPAC name of 5-ethyl-6-methylhept-2-yne (CID 22224299) is 5-ethyl-6-methylhept-2-yne.
What is the SMILES notation for 5-ethyl-6-methylhept-2-yne?
The canonical SMILES for 5-ethyl-6-methylhept-2-yne is CC#CCC(CC)C(C)C.
What is the InChIKey of 5-ethyl-6-methylhept-2-yne?
The InChIKey is NYTQFHIBKLVQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-5-7-8-10(6-2)9(3)4/h9-10H,6,8H2,1-4H3.
What are the key properties of 5-ethyl-6-methylhept-2-yne?
5-ethyl-6-methylhept-2-yne has a molecular weight of 138.25 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methylhept-2-yne is sourced from PubChem (CID 22224299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).