2-methyldec-1-en-5-yne

C11H18 — CID 10582944

IUPAC2-methyldec-1-en-5-yne
SMILESC=C(C)CCC#CCCCC
InChIInChI=1S/C11H18/c1-4-5-6-7-8-9-10-11(2)3/h2,4-6,9-10H2,1,3H3
InChIKeyTYZIYYAMDHFEJS-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.54
Rot. Bonds4

About 2-methyldec-1-en-5-yne

2-methyldec-1-en-5-yne (PubChem CID 10582944) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 2-methyldec-1-en-5-yne.

Molecular Properties

Compound Name2-methyldec-1-en-5-yne
PubChem CID10582944
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name2-methyldec-1-en-5-yne
SMILESC=C(C)CCC#CCCCC
InChIInChI=1S/C11H18/c1-4-5-6-7-8-9-10-11(2)3/h2,4-6,9-10H2,1,3H3
InChIKeyTYZIYYAMDHFEJS-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.54
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

7-Methylene-undec-5-yne
CID 10866683
5-Methylene-hept-3-yne
CID 13657299
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-Methylhex-1-en-5-yne
CID 13976498
(6E)-2,6-dimethyldodeca-2,6-dien-10-yne
CID 138970676
2-Methyl-3-methylidenehept-1-en-5-yne
CID 569164
5,6-Decadien-3-yne, 5,7-diethyl-
CID 595131
2-Methylnona-1,8-dien-3-yne
CID 10986278

Frequently Asked Questions

What is the IUPAC name of 2-methyldec-1-en-5-yne?
The IUPAC name of 2-methyldec-1-en-5-yne (CID 10582944) is 2-methyldec-1-en-5-yne.
What is the SMILES notation for 2-methyldec-1-en-5-yne?
The canonical SMILES for 2-methyldec-1-en-5-yne is C=C(C)CCC#CCCCC.
What is the InChIKey of 2-methyldec-1-en-5-yne?
The InChIKey is TYZIYYAMDHFEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-4-5-6-7-8-9-10-11(2)3/h2,4-6,9-10H2,1,3H3.
What are the key properties of 2-methyldec-1-en-5-yne?
2-methyldec-1-en-5-yne has a molecular weight of 150.26 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldec-1-en-5-yne is sourced from PubChem (CID 10582944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).