6,6-dicyclopropylhexanoic acid

C12H20O2 — CID 10607937

IUPAC6,6-dicyclopropylhexanoic acid
SMILESO=C(O)CCCCC(C1CC1)C1CC1
InChIInChI=1S/C12H20O2/c13-12(14)4-2-1-3-11(9-5-6-9)10-7-8-10/h9-11H,1-8H2,(H,13,14)
InChIKeyZJLZUQHCIIYSID-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.07
Rot. Bonds7

About 6,6-dicyclopropylhexanoic acid

6,6-dicyclopropylhexanoic acid (PubChem CID 10607937) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 6,6-dicyclopropylhexanoic acid.

Molecular Properties

Compound Name6,6-dicyclopropylhexanoic acid
PubChem CID10607937
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name6,6-dicyclopropylhexanoic acid
SMILESO=C(O)CCCCC(C1CC1)C1CC1
InChIInChI=1S/C12H20O2/c13-12(14)4-2-1-3-11(9-5-6-9)10-7-8-10/h9-11H,1-8H2,(H,13,14)
InChIKeyZJLZUQHCIIYSID-UHFFFAOYSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-dicyclohexylbutanoic acid
CID 19041232
8-cyclodecyl-8-hydroxyoctanoic acid
CID 150565467
6,12-diaminoheptadecanedioic acid
CID 23455605
6,6-dibromohexanoic acid
CID 87666257
7,8-dihydroxyhexadecanedioic acid
CID 14556981
2-aminooctanedioic acid;2-aminopropanedioic acid
CID 159597663
tridecanedioic acid;undecanedioic acid
CID 158333715
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511

Frequently Asked Questions

What is the IUPAC name of 6,6-dicyclopropylhexanoic acid?
The IUPAC name of 6,6-dicyclopropylhexanoic acid (CID 10607937) is 6,6-dicyclopropylhexanoic acid.
What is the SMILES notation for 6,6-dicyclopropylhexanoic acid?
The canonical SMILES for 6,6-dicyclopropylhexanoic acid is O=C(O)CCCCC(C1CC1)C1CC1.
What is the InChIKey of 6,6-dicyclopropylhexanoic acid?
The InChIKey is ZJLZUQHCIIYSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c13-12(14)4-2-1-3-11(9-5-6-9)10-7-8-10/h9-11H,1-8H2,(H,13,14).
What are the key properties of 6,6-dicyclopropylhexanoic acid?
6,6-dicyclopropylhexanoic acid has a molecular weight of 196.29 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dicyclopropylhexanoic acid is sourced from PubChem (CID 10607937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).