6-ethyl-7-methylnon-6-en-2,4-diyne

C12H16 — CID 58028410

IUPAC6-ethyl-7-methylnon-6-en-2,4-diyne
SMILESCC#CC#CC(CC)=C(C)CC
InChIInChI=1S/C12H16/c1-5-8-9-10-12(7-3)11(4)6-2/h6-7H2,1-4H3
InChIKeyZMLCQFYLNOOXII-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.15
Rot. Bonds2

About 6-ethyl-7-methylnon-6-en-2,4-diyne

6-ethyl-7-methylnon-6-en-2,4-diyne (PubChem CID 58028410) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 6-ethyl-7-methylnon-6-en-2,4-diyne.

Molecular Properties

Compound Name6-ethyl-7-methylnon-6-en-2,4-diyne
PubChem CID58028410
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name6-ethyl-7-methylnon-6-en-2,4-diyne
SMILESCC#CC#CC(CC)=C(C)CC
InChIInChI=1S/C12H16/c1-5-8-9-10-12(7-3)11(4)6-2/h6-7H2,1-4H3
InChIKeyZMLCQFYLNOOXII-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.15
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

(E)-3,4-Dimethylhex-3-ene
CID 3034312
(Z)-3,4-dimethylhex-3-ene
CID 3034311
(3E)-4-Ethyl-3-nonen-5-yne
CID 5368780
3,4-Dimethylhex-3-ene
CID 88151
4-Ethylnon-3-en-5-yne
CID 564545
2-Hexen-4-yne, 2-methyl-3-(1-methylethyl)-
CID 144376
1-Methyl-2-oct-1-ynylcyclobutene
CID 10773623
(4E,6E)-4,5,6,7-tetramethyldeca-4,6-dien-2,8-diyne
CID 12461986
(5E,7E)-2,2,5,6,7,8,11,11-octamethyldodeca-5,7-dien-3,9-diyne
CID 12461987
(5Z,7Z)-2,2,5,6,7,8,11,11-octamethyldodeca-5,7-dien-3,9-diyne
CID 12461988
(z)-3,4-Dipropylhex-3-ene-1,5-diyne
CID 12585185
6-Pent-1-ynyl-7-propyldodec-6-en-4,8-diyne
CID 13416361

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-methylnon-6-en-2,4-diyne?
The IUPAC name of 6-ethyl-7-methylnon-6-en-2,4-diyne (CID 58028410) is 6-ethyl-7-methylnon-6-en-2,4-diyne.
What is the SMILES notation for 6-ethyl-7-methylnon-6-en-2,4-diyne?
The canonical SMILES for 6-ethyl-7-methylnon-6-en-2,4-diyne is CC#CC#CC(CC)=C(C)CC.
What is the InChIKey of 6-ethyl-7-methylnon-6-en-2,4-diyne?
The InChIKey is ZMLCQFYLNOOXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-5-8-9-10-12(7-3)11(4)6-2/h6-7H2,1-4H3.
What are the key properties of 6-ethyl-7-methylnon-6-en-2,4-diyne?
6-ethyl-7-methylnon-6-en-2,4-diyne has a molecular weight of 160.26 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-methylnon-6-en-2,4-diyne is sourced from PubChem (CID 58028410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).