8-methyldeca-1,5-dien-9-yne

C11H16 — CID 123619930

IUPAC8-methyldeca-1,5-dien-9-yne
SMILESC#CC(C)CC=CCCC=C
InChIInChI=1S/C11H16/c1-4-6-7-8-9-10-11(3)5-2/h2,4,8-9,11H,1,6-7,10H2,3H3
InChIKeyRMMPRXHDWJWLNC-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.17
Rot. Bonds5

About 8-methyldeca-1,5-dien-9-yne

8-methyldeca-1,5-dien-9-yne (PubChem CID 123619930) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 8-methyldeca-1,5-dien-9-yne.

Molecular Properties

Compound Name8-methyldeca-1,5-dien-9-yne
PubChem CID123619930
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name8-methyldeca-1,5-dien-9-yne
SMILESC#CC(C)CC=CCCC=C
InChIInChI=1S/C11H16/c1-4-6-7-8-9-10-11(3)5-2/h2,4,8-9,11H,1,6-7,10H2,3H3
InChIKeyRMMPRXHDWJWLNC-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.17
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

8-methylnona-1,5-diene
CID 54303226
3-methylhept-5-en-1-yne
CID 123154929
8-methylnona-1,5-diene;2-methylprop-1-ene
CID 173298827
(5E)-deca-1,5,9-triene
CID 5362636
(5Z,9E)-dodeca-1,5,9-triene
CID 173147853
(5E)-nona-1,5-diene
CID 6429608
ethene;octa-1,5-diene
CID 175164046
9-iodonona-1,5-diene
CID 163737903
7-methyldeca-1,5-diene
CID 123987303
(1E)-N-methyl-N-propan-2-ylhexa-1,5-dien-1-amine
CID 143682568
pentadeca-1,5,9-triene
CID 174048710
10-methylundeca-1,5,9-triene
CID 71330376

Frequently Asked Questions

What is the IUPAC name of 8-methyldeca-1,5-dien-9-yne?
The IUPAC name of 8-methyldeca-1,5-dien-9-yne (CID 123619930) is 8-methyldeca-1,5-dien-9-yne.
What is the SMILES notation for 8-methyldeca-1,5-dien-9-yne?
The canonical SMILES for 8-methyldeca-1,5-dien-9-yne is C#CC(C)CC=CCCC=C.
What is the InChIKey of 8-methyldeca-1,5-dien-9-yne?
The InChIKey is RMMPRXHDWJWLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-4-6-7-8-9-10-11(3)5-2/h2,4,8-9,11H,1,6-7,10H2,3H3.
What are the key properties of 8-methyldeca-1,5-dien-9-yne?
8-methyldeca-1,5-dien-9-yne has a molecular weight of 148.25 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyldeca-1,5-dien-9-yne is sourced from PubChem (CID 123619930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).