(Z)-6,6-dimethylnon-2-en-7-yne

C11H18 — CID 59997520

IUPAC(Z)-6,6-dimethylnon-2-en-7-yne
SMILESCC#CC(C)(C)CC/C=C\C
InChIInChI=1S/C11H18/c1-5-7-8-10-11(3,4)9-6-2/h5,7H,8,10H2,1-4H3/b7-5-
InChIKeyYRDNSINXHQRDDW-ALCCZGGFSA-N
MW150.26 g/mol
LogP3.39
Rot. Bonds3

About (Z)-6,6-dimethylnon-2-en-7-yne

(Z)-6,6-dimethylnon-2-en-7-yne (PubChem CID 59997520) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (Z)-6,6-dimethylnon-2-en-7-yne.

Molecular Properties

Compound Name(Z)-6,6-dimethylnon-2-en-7-yne
PubChem CID59997520
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(Z)-6,6-dimethylnon-2-en-7-yne
SMILESCC#CC(C)(C)CC/C=C\C
InChIInChI=1S/C11H18/c1-5-7-8-10-11(3,4)9-6-2/h5,7H,8,10H2,1-4H3/b7-5-
InChIKeyYRDNSINXHQRDDW-ALCCZGGFSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(Z,Z,Z)-1,5,9,9-Tetramethyl-1,4,7-cycloundecatriene
CID 5368784
1,5,9,9-Tetramethylcycloundeca-1,4,7-triene
CID 564549
4,8,12,12-Tetramethylcyclododeca-1,4,8-triene
CID 162881187
1,6-Octadiene, 3,3,7-trimethyl-
CID 10986446
1,4-Cyclohexadiene, 1-(1,1-dimethylethyl)-
CID 11094680
7-Dimethyloct-3-ene
CID 20340100
3-But-1-ynylcyclopentene
CID 124023215
7-Dimethyl-2-octene
CID 129729828
5-Decene, 4-ethynyl-, (E)-
CID 5367312
1,5-Heptadiene, 3,3,5-trimethyl-
CID 549686
6,6-Dimethylhept-2-ene
CID 53883230
8-Fluoro-7,7-dimethyloct-3-ene
CID 174848410

Frequently Asked Questions

What is the IUPAC name of (Z)-6,6-dimethylnon-2-en-7-yne?
The IUPAC name of (Z)-6,6-dimethylnon-2-en-7-yne (CID 59997520) is (Z)-6,6-dimethylnon-2-en-7-yne.
What is the SMILES notation for (Z)-6,6-dimethylnon-2-en-7-yne?
The canonical SMILES for (Z)-6,6-dimethylnon-2-en-7-yne is CC#CC(C)(C)CC/C=C\C.
What is the InChIKey of (Z)-6,6-dimethylnon-2-en-7-yne?
The InChIKey is YRDNSINXHQRDDW-ALCCZGGFSA-N. The full InChI is InChI=1S/C11H18/c1-5-7-8-10-11(3,4)9-6-2/h5,7H,8,10H2,1-4H3/b7-5-.
What are the key properties of (Z)-6,6-dimethylnon-2-en-7-yne?
(Z)-6,6-dimethylnon-2-en-7-yne has a molecular weight of 150.26 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6,6-dimethylnon-2-en-7-yne is sourced from PubChem (CID 59997520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).