6,6-di(cyclopenten-1-yloxy)-2-methylhex-2-enoic acid

C17H24O4 — CID 57014415

IUPAC6,6-di(cyclopenten-1-yloxy)-2-methylhex-2-enoic acid
SMILESCC(=CCCC(OC1=CCCC1)OC1=CCCC1)C(=O)O
InChIInChI=1S/C17H24O4/c1-13(17(18)19)7-6-12-16(20-14-8-2-3-9-14)21-15-10-4-5-11-15/h7-8,10,16H,2-6,9,11-12H2,1H3,(H,18,19)
InChIKeyIAZYALMHQPRQQR-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.29
Rot. Bonds8

About 6,6-di(cyclopenten-1-yloxy)-2-methylhex-2-enoic acid

6,6-di(cyclopenten-1-yloxy)-2-methylhex-2-enoic acid (PubChem CID 57014415) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6,6-di(cyclopenten-1-yloxy)-2-methylhex-2-enoic acid.

Molecular Properties

Compound Name6,6-di(cyclopenten-1-yloxy)-2-methylhex-2-enoic acid
PubChem CID57014415
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name6,6-di(cyclopenten-1-yloxy)-2-methylhex-2-enoic acid
SMILESCC(=CCCC(OC1=CCCC1)OC1=CCCC1)C(=O)O
InChIInChI=1S/C17H24O4/c1-13(17(18)19)7-6-12-16(20-14-8-2-3-9-14)21-15-10-4-5-11-15/h7-8,10,16H,2-6,9,11-12H2,1H3,(H,18,19)
InChIKeyIAZYALMHQPRQQR-UHFFFAOYSA-N
XLogP4.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6-di(cyclopenten-1-yloxy)-2-methylhex-2-enoic acid?
The IUPAC name of 6,6-di(cyclopenten-1-yloxy)-2-methylhex-2-enoic acid (CID 57014415) is 6,6-di(cyclopenten-1-yloxy)-2-methylhex-2-enoic acid.
What is the SMILES notation for 6,6-di(cyclopenten-1-yloxy)-2-methylhex-2-enoic acid?
The canonical SMILES for 6,6-di(cyclopenten-1-yloxy)-2-methylhex-2-enoic acid is CC(=CCCC(OC1=CCCC1)OC1=CCCC1)C(=O)O.
What is the InChIKey of 6,6-di(cyclopenten-1-yloxy)-2-methylhex-2-enoic acid?
The InChIKey is IAZYALMHQPRQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-13(17(18)19)7-6-12-16(20-14-8-2-3-9-14)21-15-10-4-5-11-15/h7-8,10,16H,2-6,9,11-12H2,1H3,(H,18,19).
What are the key properties of 6,6-di(cyclopenten-1-yloxy)-2-methylhex-2-enoic acid?
6,6-di(cyclopenten-1-yloxy)-2-methylhex-2-enoic acid has a molecular weight of 292.38 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-di(cyclopenten-1-yloxy)-2-methylhex-2-enoic acid is sourced from PubChem (CID 57014415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).