4,8-Dimethylnon-7-en-1-yne

C11H18 — CID 10909746

IUPAC4,8-dimethylnon-7-en-1-yne
SMILESCC(CCC=C(C)C)CC#C
InChIInChI=1S/C11H18/c1-5-7-11(4)9-6-8-10(2)3/h1,8,11H,6-7,9H2,2-4H3
InChIKeyBDRLOYHDMFFLRL-UHFFFAOYSA-N
MW150.26 g/mol
LogP4.10
Rot. Bonds4

About 4,8-Dimethylnon-7-en-1-yne

4,8-Dimethylnon-7-en-1-yne (PubChem CID 10909746) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 4,8-dimethylnon-7-en-1-yne.

Molecular Properties

Compound Name4,8-Dimethylnon-7-en-1-yne
PubChem CID10909746
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name4,8-dimethylnon-7-en-1-yne
SMILESCC(CCC=C(C)C)CC#C
InChIInChI=1S/C11H18/c1-5-7-11(4)9-6-8-10(2)3/h1,8,11H,6-7,9H2,2-4H3
InChIKeyBDRLOYHDMFFLRL-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity162

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,6-Dimethyl-2-octene
CID 19974
Cyclohexene, 4-ethynyl
CID 524215
2,7-Dimethyl-2-octene
CID 519788
(R)-2,6-Dimethyl-oct-2-ene
CID 11322496
4-Ethynyl-1,3-dimethylcyclohex-1-ene
CID 123812267
(s)-2,6-Dimethyl-oct-2-ene
CID 10986326
2,6-Dimethylnon-2-ene
CID 21888256
4,8-Dimethyl-1,7-nonadiene
CID 534956
(5E)-6,10-Dimethyl-5,9-undecadien-1-yne
CID 5365876
(6R)-2,6-Dimethylnon-2-ene
CID 15345839
(6S)-2,6-Dimethyl-2-nonene
CID 22861491
(E)-3,4-Diethyl-2-hexene
CID 5365946

Frequently Asked Questions

What is the IUPAC name of 4,8-Dimethylnon-7-en-1-yne?
The IUPAC name of 4,8-Dimethylnon-7-en-1-yne (CID 10909746) is 4,8-dimethylnon-7-en-1-yne.
What is the SMILES notation for 4,8-Dimethylnon-7-en-1-yne?
The canonical SMILES for 4,8-Dimethylnon-7-en-1-yne is CC(CCC=C(C)C)CC#C.
What is the InChIKey of 4,8-Dimethylnon-7-en-1-yne?
The InChIKey is BDRLOYHDMFFLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-5-7-11(4)9-6-8-10(2)3/h1,8,11H,6-7,9H2,2-4H3.
What are the key properties of 4,8-Dimethylnon-7-en-1-yne?
4,8-Dimethylnon-7-en-1-yne has a molecular weight of 150.26 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-Dimethylnon-7-en-1-yne is sourced from PubChem (CID 10909746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).