(Z)-7,7-dimethyl-8-(oxan-2-yloxy)oct-5-enoic acid

C15H26O4 — CID 13276460

IUPAC(Z)-7,7-dimethyl-8-(oxan-2-yloxy)oct-5-enoic acid
SMILESCC(C)(/C=C\CCCC(=O)O)COC1CCCCO1
InChIInChI=1S/C15H26O4/c1-15(2,10-6-3-4-8-13(16)17)12-19-14-9-5-7-11-18-14/h6,10,14H,3-5,7-9,11-12H2,1-2H3,(H,16,17)/b10-6-
InChIKeyXWPGAIDCAKIKMQ-POHAHGRESA-N
MW270.37 g/mol
LogP3.37
Rot. Bonds8

About (Z)-7,7-dimethyl-8-(oxan-2-yloxy)oct-5-enoic acid

(Z)-7,7-dimethyl-8-(oxan-2-yloxy)oct-5-enoic acid (PubChem CID 13276460) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is (Z)-7,7-dimethyl-8-(oxan-2-yloxy)oct-5-enoic acid.

Molecular Properties

Compound Name(Z)-7,7-dimethyl-8-(oxan-2-yloxy)oct-5-enoic acid
PubChem CID13276460
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name(Z)-7,7-dimethyl-8-(oxan-2-yloxy)oct-5-enoic acid
SMILESCC(C)(/C=C\CCCC(=O)O)COC1CCCCO1
InChIInChI=1S/C15H26O4/c1-15(2,10-6-3-4-8-13(16)17)12-19-14-9-5-7-11-18-14/h6,10,14H,3-5,7-9,11-12H2,1-2H3,(H,16,17)/b10-6-
InChIKeyXWPGAIDCAKIKMQ-POHAHGRESA-N
XLogP3.37
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (Z)-7,7-dimethyl-8-(oxan-2-yloxy)oct-5-enoic acid?
The IUPAC name of (Z)-7,7-dimethyl-8-(oxan-2-yloxy)oct-5-enoic acid (CID 13276460) is (Z)-7,7-dimethyl-8-(oxan-2-yloxy)oct-5-enoic acid.
What is the SMILES notation for (Z)-7,7-dimethyl-8-(oxan-2-yloxy)oct-5-enoic acid?
The canonical SMILES for (Z)-7,7-dimethyl-8-(oxan-2-yloxy)oct-5-enoic acid is CC(C)(/C=C\CCCC(=O)O)COC1CCCCO1.
What is the InChIKey of (Z)-7,7-dimethyl-8-(oxan-2-yloxy)oct-5-enoic acid?
The InChIKey is XWPGAIDCAKIKMQ-POHAHGRESA-N. The full InChI is InChI=1S/C15H26O4/c1-15(2,10-6-3-4-8-13(16)17)12-19-14-9-5-7-11-18-14/h6,10,14H,3-5,7-9,11-12H2,1-2H3,(H,16,17)/b10-6-.
What are the key properties of (Z)-7,7-dimethyl-8-(oxan-2-yloxy)oct-5-enoic acid?
(Z)-7,7-dimethyl-8-(oxan-2-yloxy)oct-5-enoic acid has a molecular weight of 270.37 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7,7-dimethyl-8-(oxan-2-yloxy)oct-5-enoic acid is sourced from PubChem (CID 13276460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).