4-tert-butylcyclohexan-1-ol;formic acid

C11H22O3 — CID 170840063

IUPAC4-tert-butylcyclohexan-1-ol;formic acid
SMILESCC(C)(C)C1CCC(O)CC1.O=CO
InChIInChI=1S/C10H20O.CH2O2/c1-10(2,3)8-4-6-9(11)7-5-8;2-1-3/h8-9,11H,4-7H2,1-3H3;1H,(H,2,3)
InChIKeyRKVMGNNNQKWJDY-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.28
Rot. Bonds

About 4-tert-butylcyclohexan-1-ol;formic acid

4-tert-butylcyclohexan-1-ol;formic acid (PubChem CID 170840063) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 4-tert-butylcyclohexan-1-ol;formic acid.

Molecular Properties

Compound Name4-tert-butylcyclohexan-1-ol;formic acid
PubChem CID170840063
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name4-tert-butylcyclohexan-1-ol;formic acid
SMILESCC(C)(C)C1CCC(O)CC1.O=CO
InChIInChI=1S/C10H20O.CH2O2/c1-10(2,3)8-4-6-9(11)7-5-8;2-1-3/h8-9,11H,4-7H2,1-3H3;1H,(H,2,3)
InChIKeyRKVMGNNNQKWJDY-UHFFFAOYSA-N
XLogP2.28
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.28
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

CID 7391
CID 7391
CID 79302
CID 79302
CID 95173
CID 95173
CID 105900
CID 105900
CID 546355
CID 546355
CID 85839307
CID 85839307
CID 85968094
CID 85968094
CID 346280
CID 346280
CID 17929938
CID 17929938
CID 18381008
CID 18381008
CID 20379124
CID 20379124
CID 21694053
CID 21694053

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylcyclohexan-1-ol;formic acid?
The IUPAC name of 4-tert-butylcyclohexan-1-ol;formic acid (CID 170840063) is 4-tert-butylcyclohexan-1-ol;formic acid.
What is the SMILES notation for 4-tert-butylcyclohexan-1-ol;formic acid?
The canonical SMILES for 4-tert-butylcyclohexan-1-ol;formic acid is CC(C)(C)C1CCC(O)CC1.O=CO.
What is the InChIKey of 4-tert-butylcyclohexan-1-ol;formic acid?
The InChIKey is RKVMGNNNQKWJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.CH2O2/c1-10(2,3)8-4-6-9(11)7-5-8;2-1-3/h8-9,11H,4-7H2,1-3H3;1H,(H,2,3).
What are the key properties of 4-tert-butylcyclohexan-1-ol;formic acid?
4-tert-butylcyclohexan-1-ol;formic acid has a molecular weight of 202.29 g/mol, XLogP of 2.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylcyclohexan-1-ol;formic acid is sourced from PubChem (CID 170840063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).