8,8-dimethylnon-5-en-3-yne

C11H18 — CID 140990353

IUPAC8,8-dimethylnon-5-en-3-yne
SMILESCCC#CC=CCC(C)(C)C
InChIInChI=1S/C11H18/c1-5-6-7-8-9-10-11(2,3)4/h8-9H,5,10H2,1-4H3
InChIKeyWCWNPRRSRMCPMB-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.39
Rot. Bonds1

About 8,8-dimethylnon-5-en-3-yne

8,8-dimethylnon-5-en-3-yne (PubChem CID 140990353) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 8,8-dimethylnon-5-en-3-yne.

Molecular Properties

Compound Name8,8-dimethylnon-5-en-3-yne
PubChem CID140990353
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name8,8-dimethylnon-5-en-3-yne
SMILESCCC#CC=CCC(C)(C)C
InChIInChI=1S/C11H18/c1-5-6-7-8-9-10-11(2,3)4/h8-9H,5,10H2,1-4H3
InChIKeyWCWNPRRSRMCPMB-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.39
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

1,5-Heptadiene, 3,3,6-trimethyl-
CID 520731
trans-4,4-Dimethyl-2-hexene
CID 5352664
cis-5,5-Dimethyl-2-hexene
CID 5364964
5,5-Dimethyl-2-hexene
CID 5463192
4,4-Dimethyl-2-hexene
CID 140555
(Z)-4,4-Dimethylhex-2-ene
CID 6430914
5,5-Dimethylhex-2-ene
CID 142369
(E)-2,2,6,6-tetramethylhept-3-ene
CID 20740439
6-Dimeth-yl-3-heptene
CID 21014713
2,2,7,7-Tetramethyl-3-octen-5-yne
CID 5362919
(Z)-6,6-dimethylhept-3-ene
CID 58596106
6-t-Butyl-2,2,9,9-tetramethyl-3,5-decadien-7-yne
CID 545422

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethylnon-5-en-3-yne?
The IUPAC name of 8,8-dimethylnon-5-en-3-yne (CID 140990353) is 8,8-dimethylnon-5-en-3-yne.
What is the SMILES notation for 8,8-dimethylnon-5-en-3-yne?
The canonical SMILES for 8,8-dimethylnon-5-en-3-yne is CCC#CC=CCC(C)(C)C.
What is the InChIKey of 8,8-dimethylnon-5-en-3-yne?
The InChIKey is WCWNPRRSRMCPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-5-6-7-8-9-10-11(2,3)4/h8-9H,5,10H2,1-4H3.
What are the key properties of 8,8-dimethylnon-5-en-3-yne?
8,8-dimethylnon-5-en-3-yne has a molecular weight of 150.26 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethylnon-5-en-3-yne is sourced from PubChem (CID 140990353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).