butoxy(cyclohexyl)methanol

C11H22O2 — CID 89347064

IUPACbutoxy(cyclohexyl)methanol
SMILESCCCCOC(O)C1CCCCC1
InChIInChI=1S/C11H22O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h10-12H,2-9H2,1H3
InChIKeyYKTHSWRCXPCZKY-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.70
Rot. Bonds5

About butoxy(cyclohexyl)methanol

butoxy(cyclohexyl)methanol (PubChem CID 89347064) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is butoxy(cyclohexyl)methanol.

Molecular Properties

Compound Namebutoxy(cyclohexyl)methanol
PubChem CID89347064
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Namebutoxy(cyclohexyl)methanol
SMILESCCCCOC(O)C1CCCCC1
InChIInChI=1S/C11H22O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h10-12H,2-9H2,1H3
InChIKeyYKTHSWRCXPCZKY-UHFFFAOYSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butoxy(cyclohexyl)methanol?
The IUPAC name of butoxy(cyclohexyl)methanol (CID 89347064) is butoxy(cyclohexyl)methanol.
What is the SMILES notation for butoxy(cyclohexyl)methanol?
The canonical SMILES for butoxy(cyclohexyl)methanol is CCCCOC(O)C1CCCCC1.
What is the InChIKey of butoxy(cyclohexyl)methanol?
The InChIKey is YKTHSWRCXPCZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h10-12H,2-9H2,1H3.
What are the key properties of butoxy(cyclohexyl)methanol?
butoxy(cyclohexyl)methanol has a molecular weight of 186.29 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy(cyclohexyl)methanol is sourced from PubChem (CID 89347064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).