7-(5-formyl-2,2-dimethoxycyclopentyl)heptanoic acid

C15H26O5 — CID 131710942

IUPAC7-(5-formyl-2,2-dimethoxycyclopentyl)heptanoic acid
SMILESCOC1(OC)CCC(C=O)C1CCCCCCC(=O)O
InChIInChI=1S/C15H26O5/c1-19-15(20-2)10-9-12(11-16)13(15)7-5-3-4-6-8-14(17)18/h11-13H,3-10H2,1-2H3,(H,17,18)
InChIKeyHOWOVDNOQQABNA-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.63
Rot. Bonds10

About 7-(5-formyl-2,2-dimethoxycyclopentyl)heptanoic acid

7-(5-formyl-2,2-dimethoxycyclopentyl)heptanoic acid (PubChem CID 131710942) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is 7-(5-formyl-2,2-dimethoxycyclopentyl)heptanoic acid.

Molecular Properties

Compound Name7-(5-formyl-2,2-dimethoxycyclopentyl)heptanoic acid
PubChem CID131710942
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name7-(5-formyl-2,2-dimethoxycyclopentyl)heptanoic acid
SMILESCOC1(OC)CCC(C=O)C1CCCCCCC(=O)O
InChIInChI=1S/C15H26O5/c1-19-15(20-2)10-9-12(11-16)13(15)7-5-3-4-6-8-14(17)18/h11-13H,3-10H2,1-2H3,(H,17,18)
InChIKeyHOWOVDNOQQABNA-UHFFFAOYSA-N
XLogP2.63
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-cyclobutyloctanoic acid
CID 72551210
18-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)octadecanoic acid
CID 54076316
methanol;tridecanedioic acid
CID 175511493
7-cyclohexylheptanoic acid
CID 71560336
19-cyclohexylnonadecanoic acid
CID 71352938
7-cycloheptylheptanoic acid
CID 135077063
8-cyclooctyloctanoic acid
CID 142719661
5-[2-(5-methoxy-5-oxopentyl)cyclohexyl]pentanoic acid
CID 176900201
triacontanedioic acid
CID 5322010
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248

Frequently Asked Questions

What is the IUPAC name of 7-(5-formyl-2,2-dimethoxycyclopentyl)heptanoic acid?
The IUPAC name of 7-(5-formyl-2,2-dimethoxycyclopentyl)heptanoic acid (CID 131710942) is 7-(5-formyl-2,2-dimethoxycyclopentyl)heptanoic acid.
What is the SMILES notation for 7-(5-formyl-2,2-dimethoxycyclopentyl)heptanoic acid?
The canonical SMILES for 7-(5-formyl-2,2-dimethoxycyclopentyl)heptanoic acid is COC1(OC)CCC(C=O)C1CCCCCCC(=O)O.
What is the InChIKey of 7-(5-formyl-2,2-dimethoxycyclopentyl)heptanoic acid?
The InChIKey is HOWOVDNOQQABNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5/c1-19-15(20-2)10-9-12(11-16)13(15)7-5-3-4-6-8-14(17)18/h11-13H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 7-(5-formyl-2,2-dimethoxycyclopentyl)heptanoic acid?
7-(5-formyl-2,2-dimethoxycyclopentyl)heptanoic acid has a molecular weight of 286.37 g/mol, XLogP of 2.63, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-formyl-2,2-dimethoxycyclopentyl)heptanoic acid is sourced from PubChem (CID 131710942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).