(Z)-1-(2,2-dimethylpropoxy)-5,5-dimethylhex-3-ene

C13H26O — CID 58798553

IUPAC(Z)-1-(2,2-dimethylpropoxy)-5,5-dimethylhex-3-ene
SMILESCC(C)(C)/C=C\CCOCC(C)(C)C
InChIInChI=1S/C13H26O/c1-12(2,3)9-7-8-10-14-11-13(4,5)6/h7,9H,8,10-11H2,1-6H3/b9-7-
InChIKeyUQVOJFRGEOKNDJ-CLFYSBASSA-N
MW198.35 g/mol
LogP4.04
Rot. Bonds4

About (Z)-1-(2,2-dimethylpropoxy)-5,5-dimethylhex-3-ene

(Z)-1-(2,2-dimethylpropoxy)-5,5-dimethylhex-3-ene (PubChem CID 58798553) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (Z)-1-(2,2-dimethylpropoxy)-5,5-dimethylhex-3-ene.

Molecular Properties

Compound Name(Z)-1-(2,2-dimethylpropoxy)-5,5-dimethylhex-3-ene
PubChem CID58798553
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(Z)-1-(2,2-dimethylpropoxy)-5,5-dimethylhex-3-ene
SMILESCC(C)(C)/C=C\CCOCC(C)(C)C
InChIInChI=1S/C13H26O/c1-12(2,3)9-7-8-10-14-11-13(4,5)6/h7,9H,8,10-11H2,1-6H3/b9-7-
InChIKeyUQVOJFRGEOKNDJ-CLFYSBASSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.04
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)-1-(2,2-dimethylpropoxy)-5,5-dimethylhex-3-ene?
The IUPAC name of (Z)-1-(2,2-dimethylpropoxy)-5,5-dimethylhex-3-ene (CID 58798553) is (Z)-1-(2,2-dimethylpropoxy)-5,5-dimethylhex-3-ene.
What is the SMILES notation for (Z)-1-(2,2-dimethylpropoxy)-5,5-dimethylhex-3-ene?
The canonical SMILES for (Z)-1-(2,2-dimethylpropoxy)-5,5-dimethylhex-3-ene is CC(C)(C)/C=C\CCOCC(C)(C)C.
What is the InChIKey of (Z)-1-(2,2-dimethylpropoxy)-5,5-dimethylhex-3-ene?
The InChIKey is UQVOJFRGEOKNDJ-CLFYSBASSA-N. The full InChI is InChI=1S/C13H26O/c1-12(2,3)9-7-8-10-14-11-13(4,5)6/h7,9H,8,10-11H2,1-6H3/b9-7-.
What are the key properties of (Z)-1-(2,2-dimethylpropoxy)-5,5-dimethylhex-3-ene?
(Z)-1-(2,2-dimethylpropoxy)-5,5-dimethylhex-3-ene has a molecular weight of 198.35 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,2-dimethylpropoxy)-5,5-dimethylhex-3-ene is sourced from PubChem (CID 58798553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).