(Z)-7-(3,3-dimethylbutan-2-yloxy)-2,2-dimethylhept-3-ene

C15H30O — CID 59990327

IUPAC(Z)-7-(3,3-dimethylbutan-2-yloxy)-2,2-dimethylhept-3-ene
SMILESCC(OCCC/C=C\C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H30O/c1-13(15(5,6)7)16-12-10-8-9-11-14(2,3)4/h9,11,13H,8,10,12H2,1-7H3/b11-9-
InChIKeyGPQYWIUYRXGABG-LUAWRHEFSA-N
MW226.40 g/mol
LogP4.82
Rot. Bonds5

About (Z)-7-(3,3-dimethylbutan-2-yloxy)-2,2-dimethylhept-3-ene

(Z)-7-(3,3-dimethylbutan-2-yloxy)-2,2-dimethylhept-3-ene (PubChem CID 59990327) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is (Z)-7-(3,3-dimethylbutan-2-yloxy)-2,2-dimethylhept-3-ene.

Molecular Properties

Compound Name(Z)-7-(3,3-dimethylbutan-2-yloxy)-2,2-dimethylhept-3-ene
PubChem CID59990327
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name(Z)-7-(3,3-dimethylbutan-2-yloxy)-2,2-dimethylhept-3-ene
SMILESCC(OCCC/C=C\C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H30O/c1-13(15(5,6)7)16-12-10-8-9-11-14(2,3)4/h9,11,13H,8,10,12H2,1-7H3/b11-9-
InChIKeyGPQYWIUYRXGABG-LUAWRHEFSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.82
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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Frequently Asked Questions

What is the IUPAC name of (Z)-7-(3,3-dimethylbutan-2-yloxy)-2,2-dimethylhept-3-ene?
The IUPAC name of (Z)-7-(3,3-dimethylbutan-2-yloxy)-2,2-dimethylhept-3-ene (CID 59990327) is (Z)-7-(3,3-dimethylbutan-2-yloxy)-2,2-dimethylhept-3-ene.
What is the SMILES notation for (Z)-7-(3,3-dimethylbutan-2-yloxy)-2,2-dimethylhept-3-ene?
The canonical SMILES for (Z)-7-(3,3-dimethylbutan-2-yloxy)-2,2-dimethylhept-3-ene is CC(OCCC/C=C\C(C)(C)C)C(C)(C)C.
What is the InChIKey of (Z)-7-(3,3-dimethylbutan-2-yloxy)-2,2-dimethylhept-3-ene?
The InChIKey is GPQYWIUYRXGABG-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H30O/c1-13(15(5,6)7)16-12-10-8-9-11-14(2,3)4/h9,11,13H,8,10,12H2,1-7H3/b11-9-.
What are the key properties of (Z)-7-(3,3-dimethylbutan-2-yloxy)-2,2-dimethylhept-3-ene?
(Z)-7-(3,3-dimethylbutan-2-yloxy)-2,2-dimethylhept-3-ene has a molecular weight of 226.40 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-(3,3-dimethylbutan-2-yloxy)-2,2-dimethylhept-3-ene is sourced from PubChem (CID 59990327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).