7-methylnon-2-yne

C10H18 — CID 54177152

IUPAC7-methylnon-2-yne
SMILESCC#CCCCC(C)CC
InChIInChI=1S/C10H18/c1-4-6-7-8-9-10(3)5-2/h10H,5,7-9H2,1-3H3
InChIKeyFWCZNTRVQUVYFJ-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.23
Rot. Bonds4

About 7-methylnon-2-yne

7-methylnon-2-yne (PubChem CID 54177152) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 7-methylnon-2-yne.

Molecular Properties

Compound Name7-methylnon-2-yne
PubChem CID54177152
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name7-methylnon-2-yne
SMILESCC#CCCCC(C)CC
InChIInChI=1S/C10H18/c1-4-6-7-8-9-10(3)5-2/h10H,5,7-9H2,1-3H3
InChIKeyFWCZNTRVQUVYFJ-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.23
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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Related Compounds

16-methyloctadec-2-yne
CID 166512411
non-7-yn-3-amine
CID 64503451
(3R,7R)-3,7-dimethylnonane
CID 42626759
6,7-dimethylnon-2-yne
CID 123813434
17-methyloctadec-2-yne
CID 123546762
2-methyldec-8-yn-4-ol
CID 104810073
2-methyloct-6-ynoic acid
CID 104813708
5-methyldec-2-yne
CID 123137081
undeca-2,9-diyne
CID 13351096
14-ethyloctacos-2-yne
CID 22224296
cobalt;hept-2-yne
CID 174831630
3-methylheptane;nickel
CID 158967838

Frequently Asked Questions

What is the IUPAC name of 7-methylnon-2-yne?
The IUPAC name of 7-methylnon-2-yne (CID 54177152) is 7-methylnon-2-yne.
What is the SMILES notation for 7-methylnon-2-yne?
The canonical SMILES for 7-methylnon-2-yne is CC#CCCCC(C)CC.
What is the InChIKey of 7-methylnon-2-yne?
The InChIKey is FWCZNTRVQUVYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-6-7-8-9-10(3)5-2/h10H,5,7-9H2,1-3H3.
What are the key properties of 7-methylnon-2-yne?
7-methylnon-2-yne has a molecular weight of 138.25 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylnon-2-yne is sourced from PubChem (CID 54177152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).