2-cyclohexylethanol;formic acid;2-methylbutane

C14H30O3 — CID 144561300

IUPAC2-cyclohexylethanol;formic acid;2-methylbutane
SMILESCCC(C)C.O=CO.OCCC1CCCCC1
InChIInChI=1S/C8H16O.C5H12.CH2O2/c9-7-6-8-4-2-1-3-5-8;1-4-5(2)3;2-1-3/h8-9H,1-7H2;5H,4H2,1-3H3;1H,(H,2,3)
InChIKeyGRACMNOMXGZJKC-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.70
Rot. Bonds3

About 2-cyclohexylethanol;formic acid;2-methylbutane

2-cyclohexylethanol;formic acid;2-methylbutane (PubChem CID 144561300) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-cyclohexylethanol;formic acid;2-methylbutane.

Molecular Properties

Compound Name2-cyclohexylethanol;formic acid;2-methylbutane
PubChem CID144561300
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name2-cyclohexylethanol;formic acid;2-methylbutane
SMILESCCC(C)C.O=CO.OCCC1CCCCC1
InChIInChI=1S/C8H16O.C5H12.CH2O2/c9-7-6-8-4-2-1-3-5-8;1-4-5(2)3;2-1-3/h8-9H,1-7H2;5H,4H2,1-3H3;1H,(H,2,3)
InChIKeyGRACMNOMXGZJKC-UHFFFAOYSA-N
XLogP3.70
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2R)-1-cyclohexylbutan-2-ol
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CID 174801862
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CID 103871740

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylethanol;formic acid;2-methylbutane?
The IUPAC name of 2-cyclohexylethanol;formic acid;2-methylbutane (CID 144561300) is 2-cyclohexylethanol;formic acid;2-methylbutane.
What is the SMILES notation for 2-cyclohexylethanol;formic acid;2-methylbutane?
The canonical SMILES for 2-cyclohexylethanol;formic acid;2-methylbutane is CCC(C)C.O=CO.OCCC1CCCCC1.
What is the InChIKey of 2-cyclohexylethanol;formic acid;2-methylbutane?
The InChIKey is GRACMNOMXGZJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C5H12.CH2O2/c9-7-6-8-4-2-1-3-5-8;1-4-5(2)3;2-1-3/h8-9H,1-7H2;5H,4H2,1-3H3;1H,(H,2,3).
What are the key properties of 2-cyclohexylethanol;formic acid;2-methylbutane?
2-cyclohexylethanol;formic acid;2-methylbutane has a molecular weight of 246.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethanol;formic acid;2-methylbutane is sourced from PubChem (CID 144561300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).