5-methylidenedodec-6-yne

C13H22 — CID 134978424

IUPAC5-methylidenedodec-6-yne
SMILESC=C(C#CCCCCC)CCCC
InChIInChI=1S/C13H22/c1-4-6-8-9-10-12-13(3)11-7-5-2/h3-9,11H2,1-2H3
InChIKeyBTRZDJUCJOVKML-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.32
Rot. Bonds6

About 5-methylidenedodec-6-yne

5-methylidenedodec-6-yne (PubChem CID 134978424) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 5-methylidenedodec-6-yne.

Molecular Properties

Compound Name5-methylidenedodec-6-yne
PubChem CID134978424
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name5-methylidenedodec-6-yne
SMILESC=C(C#CCCCCC)CCCC
InChIInChI=1S/C13H22/c1-4-6-8-9-10-12-13(3)11-7-5-2/h3-9,11H2,1-2H3
InChIKeyBTRZDJUCJOVKML-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.32
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

2-Methyl-1-nonene-3-yne
CID 144373
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
3,11-Dimethylidenetrideca-1,12-diyne
CID 10608109
6-Ethenylidenedec-1-yne
CID 10678566

Frequently Asked Questions

What is the IUPAC name of 5-methylidenedodec-6-yne?
The IUPAC name of 5-methylidenedodec-6-yne (CID 134978424) is 5-methylidenedodec-6-yne.
What is the SMILES notation for 5-methylidenedodec-6-yne?
The canonical SMILES for 5-methylidenedodec-6-yne is C=C(C#CCCCCC)CCCC.
What is the InChIKey of 5-methylidenedodec-6-yne?
The InChIKey is BTRZDJUCJOVKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-4-6-8-9-10-12-13(3)11-7-5-2/h3-9,11H2,1-2H3.
What are the key properties of 5-methylidenedodec-6-yne?
5-methylidenedodec-6-yne has a molecular weight of 178.32 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidenedodec-6-yne is sourced from PubChem (CID 134978424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).