6,7-dimethylnon-2-yne

C11H20 — CID 123813434

IUPAC6,7-dimethylnon-2-yne
SMILESCC#CCCC(C)C(C)CC
InChIInChI=1S/C11H20/c1-5-7-8-9-11(4)10(3)6-2/h10-11H,6,8-9H2,1-4H3
InChIKeyXSESNWYPIQRHBI-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.47
Rot. Bonds4

About 6,7-dimethylnon-2-yne

6,7-dimethylnon-2-yne (PubChem CID 123813434) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 6,7-dimethylnon-2-yne.

Molecular Properties

Compound Name6,7-dimethylnon-2-yne
PubChem CID123813434
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name6,7-dimethylnon-2-yne
SMILESCC#CCCC(C)C(C)CC
InChIInChI=1S/C11H20/c1-5-7-8-9-11(4)10(3)6-2/h10-11H,6,8-9H2,1-4H3
InChIKeyXSESNWYPIQRHBI-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6,7-dimethylnon-2-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dimethyloct-6-yn-1-amine
CID 104813748
3-methyloct-6-yn-2-ol
CID 104810026
N-ethyl-3-methyloct-6-yn-2-amine
CID 104811014
7-methylnon-2-yne
CID 54177152
(3R)-3,4-dimethylheptane
CID 59819300
16-methyloctadec-2-yne
CID 166512411
1,1-diethoxyhept-5-yn-2-ol
CID 104804060
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
3-ethoxy-2-methylnon-7-yn-4-amine
CID 116720742
N,3-diethylnon-7-yn-4-amine
CID 105037214
N-ethyl-2,3-dimethylnon-7-yn-4-amine
CID 105037627
2-methoxynon-7-yn-4-ol
CID 104804259

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethylnon-2-yne?
The IUPAC name of 6,7-dimethylnon-2-yne (CID 123813434) is 6,7-dimethylnon-2-yne.
What is the SMILES notation for 6,7-dimethylnon-2-yne?
The canonical SMILES for 6,7-dimethylnon-2-yne is CC#CCCC(C)C(C)CC.
What is the InChIKey of 6,7-dimethylnon-2-yne?
The InChIKey is XSESNWYPIQRHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-5-7-8-9-11(4)10(3)6-2/h10-11H,6,8-9H2,1-4H3.
What are the key properties of 6,7-dimethylnon-2-yne?
6,7-dimethylnon-2-yne has a molecular weight of 152.28 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethylnon-2-yne is sourced from PubChem (CID 123813434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).