decanedioic acid;3-methoxyprop-1-ene

C14H26O5 — CID 175934270

IUPACdecanedioic acid;3-methoxyprop-1-ene
SMILESC=CCOC.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.C4H8O/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-3-4-5-2/h1-8H2,(H,11,12)(H,13,14);3H,1,4H2,2H3
InChIKeyKMJGWGPYVHKTEK-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.10
Rot. Bonds11

About decanedioic acid;3-methoxyprop-1-ene

decanedioic acid;3-methoxyprop-1-ene (PubChem CID 175934270) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is decanedioic acid;3-methoxyprop-1-ene.

Molecular Properties

Compound Namedecanedioic acid;3-methoxyprop-1-ene
PubChem CID175934270
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Namedecanedioic acid;3-methoxyprop-1-ene
SMILESC=CCOC.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.C4H8O/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-3-4-5-2/h1-8H2,(H,11,12)(H,13,14);3H,1,4H2,2H3
InChIKeyKMJGWGPYVHKTEK-UHFFFAOYSA-N
XLogP3.10
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-oxo-8-prop-2-enoxyoctanoic acid
CID 71357331
buta-1,3-diene;decanedioic acid
CID 87614862
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
tritriacont-32-enoic acid
CID 54063641
nonadec-18-enoic acid
CID 543857
octadec-17-enoic acid
CID 5312444
30-ethenoxy-30-oxotriacontanoic acid
CID 139682683
11-ethenoxy-11-oxoundecanoic acid
CID 139682785
45-ethenoxy-45-oxopentatetracontanoic acid
CID 139682706
decanedioic acid;prop-2-enoic acid
CID 87433899
heptakis(decanedioic acid);ethene
CID 173236204
methanol;tridecanedioic acid
CID 175511493

Frequently Asked Questions

What is the IUPAC name of decanedioic acid;3-methoxyprop-1-ene?
The IUPAC name of decanedioic acid;3-methoxyprop-1-ene (CID 175934270) is decanedioic acid;3-methoxyprop-1-ene.
What is the SMILES notation for decanedioic acid;3-methoxyprop-1-ene?
The canonical SMILES for decanedioic acid;3-methoxyprop-1-ene is C=CCOC.O=C(O)CCCCCCCCC(=O)O.
What is the InChIKey of decanedioic acid;3-methoxyprop-1-ene?
The InChIKey is KMJGWGPYVHKTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.C4H8O/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-3-4-5-2/h1-8H2,(H,11,12)(H,13,14);3H,1,4H2,2H3.
What are the key properties of decanedioic acid;3-methoxyprop-1-ene?
decanedioic acid;3-methoxyprop-1-ene has a molecular weight of 274.36 g/mol, XLogP of 3.10, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decanedioic acid;3-methoxyprop-1-ene is sourced from PubChem (CID 175934270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).