5-methyl-2-propan-2-ylcyclohexan-1-ol;undec-10-enoic acid;zinc

C21H40O3Zn — CID 70506302

IUPAC5-methyl-2-propan-2-ylcyclohexan-1-ol;undec-10-enoic acid;zinc
SMILESC=CCCCCCCCCC(=O)O.CC1CCC(C(C)C)C(O)C1.[Zn]
InChIInChI=1S/C11H20O2.C10H20O.Zn/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-7(2)9-5-4-8(3)6-10(9)11;/h2H,1,3-10H2,(H,12,13);7-11H,4-6H2,1-3H3;
InChIKeyROKYQLULGBFZMK-UHFFFAOYSA-N
MW405.94 g/mol
LogP5.81
Rot. Bonds10

About 5-methyl-2-propan-2-ylcyclohexan-1-ol;undec-10-enoic acid;zinc

5-methyl-2-propan-2-ylcyclohexan-1-ol;undec-10-enoic acid;zinc (PubChem CID 70506302) has the molecular formula C21H40O3Zn and a molecular weight of 405.94 g/mol. Its IUPAC name is 5-methyl-2-propan-2-ylcyclohexan-1-ol;undec-10-enoic acid;zinc.

Molecular Properties

Compound Name5-methyl-2-propan-2-ylcyclohexan-1-ol;undec-10-enoic acid;zinc
PubChem CID70506302
Molecular FormulaC21H40O3Zn
Molecular Weight405.94 g/mol
Exact Mass404.23
IUPAC Name5-methyl-2-propan-2-ylcyclohexan-1-ol;undec-10-enoic acid;zinc
SMILESC=CCCCCCCCCC(=O)O.CC1CCC(C(C)C)C(O)C1.[Zn]
InChIInChI=1S/C11H20O2.C10H20O.Zn/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-7(2)9-5-4-8(3)6-10(9)11;/h2H,1,3-10H2,(H,12,13);7-11H,4-6H2,1-3H3;
InChIKeyROKYQLULGBFZMK-UHFFFAOYSA-N
XLogP5.81
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.94
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dodecanoic acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 122703177
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794
CID 66630118
CID 66630118
tritriacont-32-enoic acid
CID 54063641
octadec-17-enoic acid
CID 5312444
nonadec-18-enoic acid
CID 543857
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
dec-1-ene;dec-9-enoic acid
CID 87497067
6-[(5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxohexanoic acid
CID 91037889
6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxohexanoic acid
CID 59998551
heptanal;undec-10-enoic acid
CID 118865645
alumane;undec-10-enoic acid;hydrochloride
CID 175378056

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-ylcyclohexan-1-ol;undec-10-enoic acid;zinc?
The IUPAC name of 5-methyl-2-propan-2-ylcyclohexan-1-ol;undec-10-enoic acid;zinc (CID 70506302) is 5-methyl-2-propan-2-ylcyclohexan-1-ol;undec-10-enoic acid;zinc.
What is the SMILES notation for 5-methyl-2-propan-2-ylcyclohexan-1-ol;undec-10-enoic acid;zinc?
The canonical SMILES for 5-methyl-2-propan-2-ylcyclohexan-1-ol;undec-10-enoic acid;zinc is C=CCCCCCCCCC(=O)O.CC1CCC(C(C)C)C(O)C1.[Zn].
What is the InChIKey of 5-methyl-2-propan-2-ylcyclohexan-1-ol;undec-10-enoic acid;zinc?
The InChIKey is ROKYQLULGBFZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2.C10H20O.Zn/c1-2-3-4-5-6-7-8-9-10-11(12)13;1-7(2)9-5-4-8(3)6-10(9)11;/h2H,1,3-10H2,(H,12,13);7-11H,4-6H2,1-3H3;.
What are the key properties of 5-methyl-2-propan-2-ylcyclohexan-1-ol;undec-10-enoic acid;zinc?
5-methyl-2-propan-2-ylcyclohexan-1-ol;undec-10-enoic acid;zinc has a molecular weight of 405.94 g/mol, XLogP of 5.81, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-ylcyclohexan-1-ol;undec-10-enoic acid;zinc is sourced from PubChem (CID 70506302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).