(E)-2-methoxy-7-methyloct-4-enoic acid

C10H18O3 — CID 14570358

IUPAC(E)-2-methoxy-7-methyloct-4-enoic acid
SMILESCOC(C/C=C/CC(C)C)C(=O)O
InChIInChI=1S/C10H18O3/c1-8(2)6-4-5-7-9(13-3)10(11)12/h4-5,8-9H,6-7H2,1-3H3,(H,11,12)/b5-4+
InChIKeyZJAMQHYDCYTZRI-SNAWJCMRSA-N
MW186.25 g/mol
LogP2.08
Rot. Bonds6

About (E)-2-methoxy-7-methyloct-4-enoic acid

(E)-2-methoxy-7-methyloct-4-enoic acid (PubChem CID 14570358) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (E)-2-methoxy-7-methyloct-4-enoic acid.

Molecular Properties

Compound Name(E)-2-methoxy-7-methyloct-4-enoic acid
PubChem CID14570358
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(E)-2-methoxy-7-methyloct-4-enoic acid
SMILESCOC(C/C=C/CC(C)C)C(=O)O
InChIInChI=1S/C10H18O3/c1-8(2)6-4-5-7-9(13-3)10(11)12/h4-5,8-9H,6-7H2,1-3H3,(H,11,12)/b5-4+
InChIKeyZJAMQHYDCYTZRI-SNAWJCMRSA-N
XLogP2.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-oct-3-enyl] 2-hydroxybutanoate
CID 71460897
[(Z)-oct-3-enyl] 2-hydroxybutanoate
CID 71462591
[(E)-oct-4-enyl] 2-hydroxybutanoate
CID 71462592
[(5Z,7E,9E,11E)-tetradeca-5,7,9,11-tetraenyl] (2R)-2-hydroxy-3-methylbutanoate
CID 162658906
[(Z)-oct-4-enyl] 2-hydroxybutanoate
CID 71457233
3Z-Hexenyl 2R-hydroxy-3-methylbutyrate
CID 56936020
(E)-2-hydroxynon-4-enoic acid
CID 19751846
Methoxytetradec-4-enoic acid
CID 129731530
3-Methylbutyl 2-fluoro-2-hydroxypent-4-enoate
CID 174703814
ethyl (2S,3S)-2-hydroxy-2,3-dimethylpent-4-enoate
CID 10975951
Ethyl 2-hydroxy-5-methylhex-4-enoate
CID 11658360
Ethyl (2R)-2-hydroxy-5-methyl-4-hexenoate
CID 11679881

Frequently Asked Questions

What is the IUPAC name of (E)-2-methoxy-7-methyloct-4-enoic acid?
The IUPAC name of (E)-2-methoxy-7-methyloct-4-enoic acid (CID 14570358) is (E)-2-methoxy-7-methyloct-4-enoic acid.
What is the SMILES notation for (E)-2-methoxy-7-methyloct-4-enoic acid?
The canonical SMILES for (E)-2-methoxy-7-methyloct-4-enoic acid is COC(C/C=C/CC(C)C)C(=O)O.
What is the InChIKey of (E)-2-methoxy-7-methyloct-4-enoic acid?
The InChIKey is ZJAMQHYDCYTZRI-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(2)6-4-5-7-9(13-3)10(11)12/h4-5,8-9H,6-7H2,1-3H3,(H,11,12)/b5-4+.
What are the key properties of (E)-2-methoxy-7-methyloct-4-enoic acid?
(E)-2-methoxy-7-methyloct-4-enoic acid has a molecular weight of 186.25 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methoxy-7-methyloct-4-enoic acid is sourced from PubChem (CID 14570358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).