1-(5,5-dimethylhept-2-enoxy)-5,5-dimethylhept-2-ene

C18H34O — CID 57019524

IUPAC1-(5,5-dimethylhept-2-enoxy)-5,5-dimethylhept-2-ene
SMILESCCC(C)(C)CC=CCOCC=CCC(C)(C)CC
InChIInChI=1S/C18H34O/c1-7-17(3,4)13-9-11-15-19-16-12-10-14-18(5,6)8-2/h9-12H,7-8,13-16H2,1-6H3
InChIKeyGHYKBQXPCQMQPT-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.77
Rot. Bonds10

About 1-(5,5-dimethylhept-2-enoxy)-5,5-dimethylhept-2-ene

1-(5,5-dimethylhept-2-enoxy)-5,5-dimethylhept-2-ene (PubChem CID 57019524) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-(5,5-dimethylhept-2-enoxy)-5,5-dimethylhept-2-ene.

Molecular Properties

Compound Name1-(5,5-dimethylhept-2-enoxy)-5,5-dimethylhept-2-ene
PubChem CID57019524
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name1-(5,5-dimethylhept-2-enoxy)-5,5-dimethylhept-2-ene
SMILESCCC(C)(C)CC=CCOCC=CCC(C)(C)CC
InChIInChI=1S/C18H34O/c1-7-17(3,4)13-9-11-15-19-16-12-10-14-18(5,6)8-2/h9-12H,7-8,13-16H2,1-6H3
InChIKeyGHYKBQXPCQMQPT-UHFFFAOYSA-N
XLogP5.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 102143435
3,3-dimethylpentane;2,2-dimethylpropane
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tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;propane
CID 90942978
5,5-dimethylhepta-1,2-diene
CID 57124189
2,2-dimethylbutane;3,3-dimethylpentane
CID 160500141
potassium 2,2-dimethylbutan-1-olate
CID 87821527
3-tert-butyl-6-ethyl-5,5,11,11-tetramethyl-6-propyltrideca-1,8-diene
CID 123861740
1-chloro-4-ethoxybut-2-ene
CID 567303
propane-1,1,1-triol;3-prop-2-enoxyprop-1-ene
CID 175245535
5-ethyl-5,7,7-trimethylnon-2-ene
CID 123630849

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethylhept-2-enoxy)-5,5-dimethylhept-2-ene?
The IUPAC name of 1-(5,5-dimethylhept-2-enoxy)-5,5-dimethylhept-2-ene (CID 57019524) is 1-(5,5-dimethylhept-2-enoxy)-5,5-dimethylhept-2-ene.
What is the SMILES notation for 1-(5,5-dimethylhept-2-enoxy)-5,5-dimethylhept-2-ene?
The canonical SMILES for 1-(5,5-dimethylhept-2-enoxy)-5,5-dimethylhept-2-ene is CCC(C)(C)CC=CCOCC=CCC(C)(C)CC.
What is the InChIKey of 1-(5,5-dimethylhept-2-enoxy)-5,5-dimethylhept-2-ene?
The InChIKey is GHYKBQXPCQMQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-7-17(3,4)13-9-11-15-19-16-12-10-14-18(5,6)8-2/h9-12H,7-8,13-16H2,1-6H3.
What are the key properties of 1-(5,5-dimethylhept-2-enoxy)-5,5-dimethylhept-2-ene?
1-(5,5-dimethylhept-2-enoxy)-5,5-dimethylhept-2-ene has a molecular weight of 266.47 g/mol, XLogP of 5.77, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethylhept-2-enoxy)-5,5-dimethylhept-2-ene is sourced from PubChem (CID 57019524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).