(Z)-8-butoxy-3,7-dimethyloct-6-enal

C14H26O2 — CID 175410465

IUPAC(Z)-8-butoxy-3,7-dimethyloct-6-enal
SMILESCCCCOC/C(C)=C\CCC(C)CC=O
InChIInChI=1S/C14H26O2/c1-4-5-11-16-12-14(3)8-6-7-13(2)9-10-15/h8,10,13H,4-7,9,11-12H2,1-3H3/b14-8-
InChIKeyUHQLPQYJDHNJLW-ZSOIEALJSA-N
MW226.36 g/mol
LogP3.75
Rot. Bonds10

About (Z)-8-butoxy-3,7-dimethyloct-6-enal

(Z)-8-butoxy-3,7-dimethyloct-6-enal (PubChem CID 175410465) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (Z)-8-butoxy-3,7-dimethyloct-6-enal.

Molecular Properties

Compound Name(Z)-8-butoxy-3,7-dimethyloct-6-enal
PubChem CID175410465
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(Z)-8-butoxy-3,7-dimethyloct-6-enal
SMILESCCCCOC/C(C)=C\CCC(C)CC=O
InChIInChI=1S/C14H26O2/c1-4-5-11-16-12-14(3)8-6-7-13(2)9-10-15/h8,10,13H,4-7,9,11-12H2,1-3H3/b14-8-
InChIKeyUHQLPQYJDHNJLW-ZSOIEALJSA-N
XLogP3.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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)-8-butoxy-3,7-dimethyloct-6-enal?
The IUPAC name of (Z)-8-butoxy-3,7-dimethyloct-6-enal (CID 175410465) is (Z)-8-butoxy-3,7-dimethyloct-6-enal.
What is the SMILES notation for (Z)-8-butoxy-3,7-dimethyloct-6-enal?
The canonical SMILES for (Z)-8-butoxy-3,7-dimethyloct-6-enal is CCCCOC/C(C)=C\CCC(C)CC=O.
What is the InChIKey of (Z)-8-butoxy-3,7-dimethyloct-6-enal?
The InChIKey is UHQLPQYJDHNJLW-ZSOIEALJSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-5-11-16-12-14(3)8-6-7-13(2)9-10-15/h8,10,13H,4-7,9,11-12H2,1-3H3/b14-8-.
What are the key properties of (Z)-8-butoxy-3,7-dimethyloct-6-enal?
(Z)-8-butoxy-3,7-dimethyloct-6-enal has a molecular weight of 226.36 g/mol, XLogP of 3.75, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-butoxy-3,7-dimethyloct-6-enal is sourced from PubChem (CID 175410465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).