dodecanoic acid;5-methyl-2-propan-2-ylcyclohexan-1-ol

C22H44O3 — CID 122703177

IUPACdodecanoic acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)C1.CCCCCCCCCCCC(=O)O
InChIInChI=1S/C12H24O2.C10H20O/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-7(2)9-5-4-8(3)6-10(9)11/h2-11H2,1H3,(H,13,14);7-11H,4-6H2,1-3H3
InChIKeyCVPLPQGOSPKSFG-UHFFFAOYSA-N
MW356.59 g/mol
LogP6.43
Rot. Bonds11

About dodecanoic acid;5-methyl-2-propan-2-ylcyclohexan-1-ol

dodecanoic acid;5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 122703177) has the molecular formula C22H44O3 and a molecular weight of 356.59 g/mol. Its IUPAC name is dodecanoic acid;5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Namedodecanoic acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID122703177
Molecular FormulaC22H44O3
Molecular Weight356.59 g/mol
Exact Mass356.33
IUPAC Namedodecanoic acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)C1.CCCCCCCCCCCC(=O)O
InChIInChI=1S/C12H24O2.C10H20O/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-7(2)9-5-4-8(3)6-10(9)11/h2-11H2,1H3,(H,13,14);7-11H,4-6H2,1-3H3
InChIKeyCVPLPQGOSPKSFG-UHFFFAOYSA-N
XLogP6.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.59
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

5-methyl-2-propan-2-ylcyclohexan-1-ol;undec-10-enoic acid;zinc
CID 70506302
CID 66630118
CID 66630118
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794
hexadecanoic acid;1,2,4-trimethylcyclohexane
CID 158194020
methoxymethane;2-methylheptanamide;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174815812
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] decanoate
CID 12738088
6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxohexanoic acid
CID 59998551
6-[(5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-6-oxohexanoic acid
CID 91037889
bis(bis(5-methyl-2-propan-2-ylcyclohexyl) butanedioate);pentanedioic acid
CID 175337786
benzene;hexadecanoic acid
CID 162199490
benzene;decanoic acid
CID 159351150
octadecanoic acid
CID 157075632

Frequently Asked Questions

What is the IUPAC name of dodecanoic acid;5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of dodecanoic acid;5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 122703177) is dodecanoic acid;5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for dodecanoic acid;5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for dodecanoic acid;5-methyl-2-propan-2-ylcyclohexan-1-ol is CC1CCC(C(C)C)C(O)C1.CCCCCCCCCCCC(=O)O.
What is the InChIKey of dodecanoic acid;5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is CVPLPQGOSPKSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.C10H20O/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-7(2)9-5-4-8(3)6-10(9)11/h2-11H2,1H3,(H,13,14);7-11H,4-6H2,1-3H3.
What are the key properties of dodecanoic acid;5-methyl-2-propan-2-ylcyclohexan-1-ol?
dodecanoic acid;5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 356.59 g/mol, XLogP of 6.43, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecanoic acid;5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 122703177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).