4-(5,5-dimethylhept-3-en-4-yloxy)-5,5-dimethylhept-3-ene

C18H34O — CID 173371773

IUPAC4-(5,5-dimethylhept-3-en-4-yloxy)-5,5-dimethylhept-3-ene
SMILESCCC=C(OC(=CCC)C(C)(C)CC)C(C)(C)CC
InChIInChI=1S/C18H34O/c1-9-13-15(17(5,6)11-3)19-16(14-10-2)18(7,8)12-4/h13-14H,9-12H2,1-8H3
InChIKeyYZNKXUTZDGKEDV-UHFFFAOYSA-N
MW266.47 g/mol
LogP6.46
Rot. Bonds8

About 4-(5,5-dimethylhept-3-en-4-yloxy)-5,5-dimethylhept-3-ene

4-(5,5-dimethylhept-3-en-4-yloxy)-5,5-dimethylhept-3-ene (PubChem CID 173371773) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 4-(5,5-dimethylhept-3-en-4-yloxy)-5,5-dimethylhept-3-ene.

Molecular Properties

Compound Name4-(5,5-dimethylhept-3-en-4-yloxy)-5,5-dimethylhept-3-ene
PubChem CID173371773
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name4-(5,5-dimethylhept-3-en-4-yloxy)-5,5-dimethylhept-3-ene
SMILESCCC=C(OC(=CCC)C(C)(C)CC)C(C)(C)CC
InChIInChI=1S/C18H34O/c1-9-13-15(17(5,6)11-3)19-16(14-10-2)18(7,8)12-4/h13-14H,9-12H2,1-8H3
InChIKeyYZNKXUTZDGKEDV-UHFFFAOYSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethylhept-3-en-4-yloxy)-5,5-dimethylhept-3-ene?
The IUPAC name of 4-(5,5-dimethylhept-3-en-4-yloxy)-5,5-dimethylhept-3-ene (CID 173371773) is 4-(5,5-dimethylhept-3-en-4-yloxy)-5,5-dimethylhept-3-ene.
What is the SMILES notation for 4-(5,5-dimethylhept-3-en-4-yloxy)-5,5-dimethylhept-3-ene?
The canonical SMILES for 4-(5,5-dimethylhept-3-en-4-yloxy)-5,5-dimethylhept-3-ene is CCC=C(OC(=CCC)C(C)(C)CC)C(C)(C)CC.
What is the InChIKey of 4-(5,5-dimethylhept-3-en-4-yloxy)-5,5-dimethylhept-3-ene?
The InChIKey is YZNKXUTZDGKEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-9-13-15(17(5,6)11-3)19-16(14-10-2)18(7,8)12-4/h13-14H,9-12H2,1-8H3.
What are the key properties of 4-(5,5-dimethylhept-3-en-4-yloxy)-5,5-dimethylhept-3-ene?
4-(5,5-dimethylhept-3-en-4-yloxy)-5,5-dimethylhept-3-ene has a molecular weight of 266.47 g/mol, XLogP of 6.46, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethylhept-3-en-4-yloxy)-5,5-dimethylhept-3-ene is sourced from PubChem (CID 173371773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).