cyclodecane;methanol;2-methylbut-2-enoic acid

C17H36O4 — CID 174824435

IUPACcyclodecane;methanol;2-methylbut-2-enoic acid
SMILESC1CCCCCCCCC1.CC=C(C)C(=O)O.CO.CO
InChIInChI=1S/C10H20.C5H8O2.2CH4O/c1-2-4-6-8-10-9-7-5-3-1;1-3-4(2)5(6)7;2*1-2/h1-10H2;3H,1-2H3,(H,6,7);2*2H,1H3
InChIKeyGGPCSCHLWSYLSW-UHFFFAOYSA-N
MW304.47 g/mol
LogP4.16
Rot. Bonds1

About cyclodecane;methanol;2-methylbut-2-enoic acid

cyclodecane;methanol;2-methylbut-2-enoic acid (PubChem CID 174824435) has the molecular formula C17H36O4 and a molecular weight of 304.47 g/mol. Its IUPAC name is cyclodecane;methanol;2-methylbut-2-enoic acid.

Molecular Properties

Compound Namecyclodecane;methanol;2-methylbut-2-enoic acid
PubChem CID174824435
Molecular FormulaC17H36O4
Molecular Weight304.47 g/mol
Exact Mass304.26
IUPAC Namecyclodecane;methanol;2-methylbut-2-enoic acid
SMILESC1CCCCCCCCC1.CC=C(C)C(=O)O.CO.CO
InChIInChI=1S/C10H20.C5H8O2.2CH4O/c1-2-4-6-8-10-9-7-5-3-1;1-3-4(2)5(6)7;2*1-2/h1-10H2;3H,1-2H3,(H,6,7);2*2H,1H3
InChIKeyGGPCSCHLWSYLSW-UHFFFAOYSA-N
XLogP4.16
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tris(cyclodecane);methanol;2-methylbut-2-enoic acid
CID 174470242
(E)-2-methylbut-2-enoic acid;hydrochloride
CID 87583281
2-methylbut-2-enoic acid;yttrium
CID 76824008
2-methylbut-2-enoic acid;silane
CID 173038853
acetic acid;(E)-2-methylbut-2-enoic acid
CID 88739712
N,N-dimethylmethanamine;(E)-2-methylbut-2-enoic acid
CID 173038911
(E)-3-cyclohexyl-2-methylprop-2-enoic acid;(E)-2-methylbut-2-enoic acid
CID 67876019
dimethylazanide;methane;(Z)-2-methylbut-2-enoic acid;yttrium
CID 158291307
[2-(hydroxymethyl)cyclohexyl]methanol;2-methylbut-2-enoic acid
CID 174557513
2-methylbut-2-enoic acid;3-methylbut-2-enoic acid
CID 158806773
2-methylbut-2-enoic acid;pentane-1,5-diol
CID 174259555
2-methylbut-2-enoic acid;terephthalic acid
CID 161452509

Frequently Asked Questions

What is the IUPAC name of cyclodecane;methanol;2-methylbut-2-enoic acid?
The IUPAC name of cyclodecane;methanol;2-methylbut-2-enoic acid (CID 174824435) is cyclodecane;methanol;2-methylbut-2-enoic acid.
What is the SMILES notation for cyclodecane;methanol;2-methylbut-2-enoic acid?
The canonical SMILES for cyclodecane;methanol;2-methylbut-2-enoic acid is C1CCCCCCCCC1.CC=C(C)C(=O)O.CO.CO.
What is the InChIKey of cyclodecane;methanol;2-methylbut-2-enoic acid?
The InChIKey is GGPCSCHLWSYLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C5H8O2.2CH4O/c1-2-4-6-8-10-9-7-5-3-1;1-3-4(2)5(6)7;2*1-2/h1-10H2;3H,1-2H3,(H,6,7);2*2H,1H3.
What are the key properties of cyclodecane;methanol;2-methylbut-2-enoic acid?
cyclodecane;methanol;2-methylbut-2-enoic acid has a molecular weight of 304.47 g/mol, XLogP of 4.16, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclodecane;methanol;2-methylbut-2-enoic acid is sourced from PubChem (CID 174824435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).