7-methylideneundec-5-yne

C12H20 — CID 10866683

IUPAC7-methylideneundec-5-yne
SMILESC=C(C#CCCCC)CCCC
InChIInChI=1S/C12H20/c1-4-6-8-9-11-12(3)10-7-5-2/h3-8,10H2,1-2H3
InChIKeyXLJGLSFHSZISSS-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.93
Rot. Bonds5

About 7-methylideneundec-5-yne

7-methylideneundec-5-yne (PubChem CID 10866683) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 7-methylideneundec-5-yne.

Molecular Properties

Compound Name7-methylideneundec-5-yne
PubChem CID10866683
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name7-methylideneundec-5-yne
SMILESC=C(C#CCCCC)CCCC
InChIInChI=1S/C12H20/c1-4-6-8-9-11-12(3)10-7-5-2/h3-8,10H2,1-2H3
InChIKeyXLJGLSFHSZISSS-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.93
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-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
2-Methylnona-1,8-dien-3-yne
CID 10986278

Frequently Asked Questions

What is the IUPAC name of 7-methylideneundec-5-yne?
The IUPAC name of 7-methylideneundec-5-yne (CID 10866683) is 7-methylideneundec-5-yne.
What is the SMILES notation for 7-methylideneundec-5-yne?
The canonical SMILES for 7-methylideneundec-5-yne is C=C(C#CCCCC)CCCC.
What is the InChIKey of 7-methylideneundec-5-yne?
The InChIKey is XLJGLSFHSZISSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-6-8-9-11-12(3)10-7-5-2/h3-8,10H2,1-2H3.
What are the key properties of 7-methylideneundec-5-yne?
7-methylideneundec-5-yne has a molecular weight of 164.29 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylideneundec-5-yne is sourced from PubChem (CID 10866683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).