7-methylidenenon-2-yne

C10H16 — CID 91378808

IUPAC7-methylidenenon-2-yne
SMILESC=C(CC)CCCC#CC
InChIInChI=1S/C10H16/c1-4-6-7-8-9-10(3)5-2/h3,5,7-9H2,1-2H3
InChIKeyTVUYHJXYXYDTNY-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.15
Rot. Bonds4

About 7-methylidenenon-2-yne

7-methylidenenon-2-yne (PubChem CID 91378808) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 7-methylidenenon-2-yne.

Molecular Properties

Compound Name7-methylidenenon-2-yne
PubChem CID91378808
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name7-methylidenenon-2-yne
SMILESC=C(CC)CCCC#CC
InChIInChI=1S/C10H16/c1-4-6-7-8-9-10(3)5-2/h3,5,7-9H2,1-2H3
InChIKeyTVUYHJXYXYDTNY-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.15
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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Related Compounds

3-Methyleneheptane
CID 15404
Undecane, 3-methylene-
CID 550798
2-Methyl-1-undecene
CID 87689
2-Methyl-1-heptene
CID 27519
2-Methyl-1-octene
CID 78335
2-Methyl-1-nonene
CID 137784
Tridecane, 3-methylene-
CID 519705
2-Butyl-1-hexene
CID 544585
Undecane, 5-methylene-
CID 544747
2-Ethyl-1-octene
CID 550804
Heptane, 4-methylene-
CID 519193
2-Hexyl-1-octene
CID 140594

Frequently Asked Questions

What is the IUPAC name of 7-methylidenenon-2-yne?
The IUPAC name of 7-methylidenenon-2-yne (CID 91378808) is 7-methylidenenon-2-yne.
What is the SMILES notation for 7-methylidenenon-2-yne?
The canonical SMILES for 7-methylidenenon-2-yne is C=C(CC)CCCC#CC.
What is the InChIKey of 7-methylidenenon-2-yne?
The InChIKey is TVUYHJXYXYDTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-4-6-7-8-9-10(3)5-2/h3,5,7-9H2,1-2H3.
What are the key properties of 7-methylidenenon-2-yne?
7-methylidenenon-2-yne has a molecular weight of 136.24 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidenenon-2-yne is sourced from PubChem (CID 91378808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).