2-methylnona-1,8-dien-3-yne

C10H14 — CID 10986278

IUPAC2-methylnona-1,8-dien-3-yne
SMILESC=CCCCC#CC(=C)C
InChIInChI=1S/C10H14/c1-4-5-6-7-8-9-10(2)3/h4H,1-2,5-7H2,3H3
InChIKeyRDYGWARKDTUACM-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.92
Rot. Bonds3

About 2-methylnona-1,8-dien-3-yne

2-methylnona-1,8-dien-3-yne (PubChem CID 10986278) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 2-methylnona-1,8-dien-3-yne.

Molecular Properties

Compound Name2-methylnona-1,8-dien-3-yne
PubChem CID10986278
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name2-methylnona-1,8-dien-3-yne
SMILESC=CCCCC#CC(=C)C
InChIInChI=1S/C10H14/c1-4-5-6-7-8-9-10(2)3/h4H,1-2,5-7H2,3H3
InChIKeyRDYGWARKDTUACM-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.92
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

1-Nonen-4-yne
CID 141638
Undec-1-en-5,7,9-triyne
CID 14104320
7-Methylene-undec-5-yne
CID 10866683
6-Methylidenenon-4-yne
CID 15584278
(5Z)-5-(iodomethylidene)oct-1-en-6-yne
CID 15778096
2-Methylhept-1-en-6-yne
CID 10396805
Undec-1-en-6-yne
CID 11126446
Non-1-en-7-yne
CID 12418811
Oct-1-en-6-yne
CID 13759020
4-Vinylhept-1-en-5-in
CID 53910746
(3S)-3-methyloct-1-en-6-yne
CID 58067898
2-Methyl-3-methylidenehept-1-en-5-yne
CID 569164

Frequently Asked Questions

What is the IUPAC name of 2-methylnona-1,8-dien-3-yne?
The IUPAC name of 2-methylnona-1,8-dien-3-yne (CID 10986278) is 2-methylnona-1,8-dien-3-yne.
What is the SMILES notation for 2-methylnona-1,8-dien-3-yne?
The canonical SMILES for 2-methylnona-1,8-dien-3-yne is C=CCCCC#CC(=C)C.
What is the InChIKey of 2-methylnona-1,8-dien-3-yne?
The InChIKey is RDYGWARKDTUACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-4-5-6-7-8-9-10(2)3/h4H,1-2,5-7H2,3H3.
What are the key properties of 2-methylnona-1,8-dien-3-yne?
2-methylnona-1,8-dien-3-yne has a molecular weight of 134.22 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnona-1,8-dien-3-yne is sourced from PubChem (CID 10986278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).