2,2-dimethyl-5-methylidenenon-3-yne

C12H20 — CID 157282963

IUPAC2,2-dimethyl-5-methylidenenon-3-yne
SMILESC=C(C#CC(C)(C)C)CCCC
InChIInChI=1S/C12H20/c1-6-7-8-11(2)9-10-12(3,4)5/h2,6-8H2,1,3-5H3
InChIKeyFHZUUBXOFCLGKJ-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.78
Rot. Bonds3

About 2,2-dimethyl-5-methylidenenon-3-yne

2,2-dimethyl-5-methylidenenon-3-yne (PubChem CID 157282963) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2,2-dimethyl-5-methylidenenon-3-yne.

Molecular Properties

Compound Name2,2-dimethyl-5-methylidenenon-3-yne
PubChem CID157282963
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name2,2-dimethyl-5-methylidenenon-3-yne
SMILESC=C(C#CC(C)(C)C)CCCC
InChIInChI=1S/C12H20/c1-6-7-8-11(2)9-10-12(3,4)5/h2,6-8H2,1,3-5H3
InChIKeyFHZUUBXOFCLGKJ-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-Methylene-undec-5-yne
CID 10866683
7-Pentadecyne, 9-methylene-
CID 11816883
6-Methylidenenon-4-yne
CID 15584278
2-Methylhept-1-en-6-yne
CID 10396805
1-Nonyne, 3-methylene-
CID 11018929
3-Methylideneoct-1-yne
CID 12939487
2-Methyl-3-methylidenehept-1-en-5-yne
CID 569164
5,6-Decadien-3-yne, 5,7-diethyl-
CID 595131
10,10-Dimethyl-9-methylideneundec-5-yne
CID 10607796
(7Z)-7-(iodomethylidene)undec-5-yne
CID 11022592
5,12-Dimethylidenecyclotetradeca-1,8-diyne
CID 15811833
2-Methyloct-1-en-7-yne
CID 134975076

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-methylidenenon-3-yne?
The IUPAC name of 2,2-dimethyl-5-methylidenenon-3-yne (CID 157282963) is 2,2-dimethyl-5-methylidenenon-3-yne.
What is the SMILES notation for 2,2-dimethyl-5-methylidenenon-3-yne?
The canonical SMILES for 2,2-dimethyl-5-methylidenenon-3-yne is C=C(C#CC(C)(C)C)CCCC.
What is the InChIKey of 2,2-dimethyl-5-methylidenenon-3-yne?
The InChIKey is FHZUUBXOFCLGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-6-7-8-11(2)9-10-12(3,4)5/h2,6-8H2,1,3-5H3.
What are the key properties of 2,2-dimethyl-5-methylidenenon-3-yne?
2,2-dimethyl-5-methylidenenon-3-yne has a molecular weight of 164.29 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-methylidenenon-3-yne is sourced from PubChem (CID 157282963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).