11-(oxan-4-yl)undec-10-enoic acid

C16H28O3 — CID 164916370

IUPAC11-(oxan-4-yl)undec-10-enoic acid
SMILESO=C(O)CCCCCCCCC=CC1CCOCC1
InChIInChI=1S/C16H28O3/c17-16(18)10-8-6-4-2-1-3-5-7-9-15-11-13-19-14-12-15/h7,9,15H,1-6,8,10-14H2,(H,17,18)
InChIKeyXPOAMKJETYFCCJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.17
Rot. Bonds10

About 11-(oxan-4-yl)undec-10-enoic acid

11-(oxan-4-yl)undec-10-enoic acid (PubChem CID 164916370) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is 11-(oxan-4-yl)undec-10-enoic acid.

Molecular Properties

Compound Name11-(oxan-4-yl)undec-10-enoic acid
PubChem CID164916370
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name11-(oxan-4-yl)undec-10-enoic acid
SMILESO=C(O)CCCCCCCCC=CC1CCOCC1
InChIInChI=1S/C16H28O3/c17-16(18)10-8-6-4-2-1-3-5-7-9-15-11-13-19-14-12-15/h7,9,15H,1-6,8,10-14H2,(H,17,18)
InChIKeyXPOAMKJETYFCCJ-UHFFFAOYSA-N
XLogP4.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(E)-7-cyclopentylhept-6-enoic acid
CID 20506982
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
tetradec-6-enedioic acid
CID 151545129
(Z)-dodec-5-enedioic acid
CID 86751837
(E)-octadec-4-enedioic acid
CID 166071490
(E)-pentadec-4-enedioic acid
CID 156873655
(Z)-7-[(1R,2R,3S,4S)-3-formyl-7-oxabicyclo[2.2.1]heptan-2-yl]hept-6-enoic acid
CID 88783149
ethane-1,2-diol;octadec-9-enoic acid;oxirane
CID 173066002
18-chlorooctadec-9-enoic acid
CID 54535239
1-(oxan-4-yl)non-1-en-3-one
CID 57065591

Frequently Asked Questions

What is the IUPAC name of 11-(oxan-4-yl)undec-10-enoic acid?
The IUPAC name of 11-(oxan-4-yl)undec-10-enoic acid (CID 164916370) is 11-(oxan-4-yl)undec-10-enoic acid.
What is the SMILES notation for 11-(oxan-4-yl)undec-10-enoic acid?
The canonical SMILES for 11-(oxan-4-yl)undec-10-enoic acid is O=C(O)CCCCCCCCC=CC1CCOCC1.
What is the InChIKey of 11-(oxan-4-yl)undec-10-enoic acid?
The InChIKey is XPOAMKJETYFCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c17-16(18)10-8-6-4-2-1-3-5-7-9-15-11-13-19-14-12-15/h7,9,15H,1-6,8,10-14H2,(H,17,18).
What are the key properties of 11-(oxan-4-yl)undec-10-enoic acid?
11-(oxan-4-yl)undec-10-enoic acid has a molecular weight of 268.40 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(oxan-4-yl)undec-10-enoic acid is sourced from PubChem (CID 164916370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).