cyclodecane;3-methyl-2-methylidenebutanoic acid

C16H30O2 — CID 67190499

IUPACcyclodecane;3-methyl-2-methylidenebutanoic acid
SMILESC1CCCCCCCCC1.C=C(C(=O)O)C(C)C
InChIInChI=1S/C10H20.C6H10O2/c1-2-4-6-8-10-9-7-5-3-1;1-4(2)5(3)6(7)8/h1-10H2;4H,3H2,1-2H3,(H,7,8)
InChIKeyZWBFQKSKZOXDQK-UHFFFAOYSA-N
MW254.41 g/mol
LogP5.18
Rot. Bonds2

About cyclodecane;3-methyl-2-methylidenebutanoic acid

cyclodecane;3-methyl-2-methylidenebutanoic acid (PubChem CID 67190499) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is cyclodecane;3-methyl-2-methylidenebutanoic acid.

Molecular Properties

Compound Namecyclodecane;3-methyl-2-methylidenebutanoic acid
PubChem CID67190499
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Namecyclodecane;3-methyl-2-methylidenebutanoic acid
SMILESC1CCCCCCCCC1.C=C(C(=O)O)C(C)C
InChIInChI=1S/C10H20.C6H10O2/c1-2-4-6-8-10-9-7-5-3-1;1-4(2)5(3)6(7)8/h1-10H2;4H,3H2,1-2H3,(H,7,8)
InChIKeyZWBFQKSKZOXDQK-UHFFFAOYSA-N
XLogP5.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.41
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclodecane;3-methyl-2-methylidenebutanoic acid?
The IUPAC name of cyclodecane;3-methyl-2-methylidenebutanoic acid (CID 67190499) is cyclodecane;3-methyl-2-methylidenebutanoic acid.
What is the SMILES notation for cyclodecane;3-methyl-2-methylidenebutanoic acid?
The canonical SMILES for cyclodecane;3-methyl-2-methylidenebutanoic acid is C1CCCCCCCCC1.C=C(C(=O)O)C(C)C.
What is the InChIKey of cyclodecane;3-methyl-2-methylidenebutanoic acid?
The InChIKey is ZWBFQKSKZOXDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C6H10O2/c1-2-4-6-8-10-9-7-5-3-1;1-4(2)5(3)6(7)8/h1-10H2;4H,3H2,1-2H3,(H,7,8).
What are the key properties of cyclodecane;3-methyl-2-methylidenebutanoic acid?
cyclodecane;3-methyl-2-methylidenebutanoic acid has a molecular weight of 254.41 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclodecane;3-methyl-2-methylidenebutanoic acid is sourced from PubChem (CID 67190499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).