bicyclo[2.2.0]hexane;2,2-dimethylhexanedioic acid

C14H24O4 — CID 66701484

IUPACbicyclo[2.2.0]hexane;2,2-dimethylhexanedioic acid
SMILESC1CC2CCC12.CC(C)(CCCC(=O)O)C(=O)O
InChIInChI=1S/C8H14O4.C6H10/c1-8(2,7(11)12)5-3-4-6(9)10;1-2-6-4-3-5(1)6/h3-5H2,1-2H3,(H,9,10)(H,11,12);5-6H,1-4H2
InChIKeyGZUBTNOHGZKVKO-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.16
Rot. Bonds5

About bicyclo[2.2.0]hexane;2,2-dimethylhexanedioic acid

bicyclo[2.2.0]hexane;2,2-dimethylhexanedioic acid (PubChem CID 66701484) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is bicyclo[2.2.0]hexane;2,2-dimethylhexanedioic acid.

Molecular Properties

Compound Namebicyclo[2.2.0]hexane;2,2-dimethylhexanedioic acid
PubChem CID66701484
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Namebicyclo[2.2.0]hexane;2,2-dimethylhexanedioic acid
SMILESC1CC2CCC12.CC(C)(CCCC(=O)O)C(=O)O
InChIInChI=1S/C8H14O4.C6H10/c1-8(2,7(11)12)5-3-4-6(9)10;1-2-6-4-3-5(1)6/h3-5H2,1-2H3,(H,9,10)(H,11,12);5-6H,1-4H2
InChIKeyGZUBTNOHGZKVKO-UHFFFAOYSA-N
XLogP3.16
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethylicosanedioic acid
CID 87760954
2,2-dimethyloctanedioic acid
CID 21225473
2,2-dimethyl-6-oxoheptanoic acid
CID 3083567
CID 173033725
CID 173033725
ruthenium;tris(2,2,3,3-tetramethylheptanedioic acid)
CID 173029770
5-[3-[3-[3-(4-carboxy-4-methylpentyl)-2-hydroxycyclopentyl]propyl]-2-hydroxycyclopentyl]-2,2-dimethylpentanoic acid
CID 59659589
azane;5-hydroxy-2,2-dimethylpentanoic acid
CID 172678902
2,2-dimethylhexanoic acid;hydrochloride
CID 87873074
5,5-difluorohexanoic acid
CID 53418167
2,2,11,11-tetramethyl-7,12-dioxotridecanoic acid
CID 59356091
(2S)-2-hydroxy-2-methylpentanedioic acid
CID 87384550
2,2-dimethyldocosanoic acid
CID 23471202

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexane;2,2-dimethylhexanedioic acid?
The IUPAC name of bicyclo[2.2.0]hexane;2,2-dimethylhexanedioic acid (CID 66701484) is bicyclo[2.2.0]hexane;2,2-dimethylhexanedioic acid.
What is the SMILES notation for bicyclo[2.2.0]hexane;2,2-dimethylhexanedioic acid?
The canonical SMILES for bicyclo[2.2.0]hexane;2,2-dimethylhexanedioic acid is C1CC2CCC12.CC(C)(CCCC(=O)O)C(=O)O.
What is the InChIKey of bicyclo[2.2.0]hexane;2,2-dimethylhexanedioic acid?
The InChIKey is GZUBTNOHGZKVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4.C6H10/c1-8(2,7(11)12)5-3-4-6(9)10;1-2-6-4-3-5(1)6/h3-5H2,1-2H3,(H,9,10)(H,11,12);5-6H,1-4H2.
What are the key properties of bicyclo[2.2.0]hexane;2,2-dimethylhexanedioic acid?
bicyclo[2.2.0]hexane;2,2-dimethylhexanedioic acid has a molecular weight of 256.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexane;2,2-dimethylhexanedioic acid is sourced from PubChem (CID 66701484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).