(E)-7-methoxy-3,7-dimethyloct-2-enal

C11H20O2 — CID 14038266

IUPAC(E)-7-methoxy-3,7-dimethyloct-2-enal
SMILESCOC(C)(C)CCC/C(C)=C/C=O
InChIInChI=1S/C11H20O2/c1-10(7-9-12)6-5-8-11(2,3)13-4/h7,9H,5-6,8H2,1-4H3/b10-7+
InChIKeyAMLBMXAXWXKAFL-JXMROGBWSA-N
MW184.28 g/mol
LogP2.73
Rot. Bonds6

About (E)-7-methoxy-3,7-dimethyloct-2-enal

(E)-7-methoxy-3,7-dimethyloct-2-enal (PubChem CID 14038266) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-7-methoxy-3,7-dimethyloct-2-enal.

Molecular Properties

Compound Name(E)-7-methoxy-3,7-dimethyloct-2-enal
PubChem CID14038266
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(E)-7-methoxy-3,7-dimethyloct-2-enal
SMILESCOC(C)(C)CCC/C(C)=C/C=O
InChIInChI=1S/C11H20O2/c1-10(7-9-12)6-5-8-11(2,3)13-4/h7,9H,5-6,8H2,1-4H3/b10-7+
InChIKeyAMLBMXAXWXKAFL-JXMROGBWSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-7-methoxy-3,7-dimethyloct-2-enenitrile
CID 88756064
31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26-undecaen-2-ol
CID 73229435
3-methyloct-2-enal
CID 54333143
(6E,10E,14E,16E,18E,20E,22E,26E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,20,22,26-nonaene
CID 87443150
(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal
CID 42611333
(E)-5-hydroxy-3,5-dimethylhex-2-enal
CID 87291683
(2Z,6E)-3,6-dimethylocta-2,6-dienal
CID 124647728
3,8-dimethylnon-2-enal
CID 91613839
3,5,5-trimethylhex-2-enal
CID 529962
(E)-3,5,5-trimethylhex-2-enal
CID 5352913
cyclopropylmethyl 11-methoxy-3,7,11-trimethyldodec-2-enoate
CID 54212969
1-[(E)-7-methoxy-3,7-dimethyloct-2-enoxy]-4-nitrobenzene
CID 13359126

Frequently Asked Questions

What is the IUPAC name of (E)-7-methoxy-3,7-dimethyloct-2-enal?
The IUPAC name of (E)-7-methoxy-3,7-dimethyloct-2-enal (CID 14038266) is (E)-7-methoxy-3,7-dimethyloct-2-enal.
What is the SMILES notation for (E)-7-methoxy-3,7-dimethyloct-2-enal?
The canonical SMILES for (E)-7-methoxy-3,7-dimethyloct-2-enal is COC(C)(C)CCC/C(C)=C/C=O.
What is the InChIKey of (E)-7-methoxy-3,7-dimethyloct-2-enal?
The InChIKey is AMLBMXAXWXKAFL-JXMROGBWSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(7-9-12)6-5-8-11(2,3)13-4/h7,9H,5-6,8H2,1-4H3/b10-7+.
What are the key properties of (E)-7-methoxy-3,7-dimethyloct-2-enal?
(E)-7-methoxy-3,7-dimethyloct-2-enal has a molecular weight of 184.28 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-methoxy-3,7-dimethyloct-2-enal is sourced from PubChem (CID 14038266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).