2-octan-2-yloxy-4-propan-2-ylcyclohexan-1-ol

C17H34O2 — CID 55192847

IUPAC2-octan-2-yloxy-4-propan-2-ylcyclohexan-1-ol
SMILESCCCCCCC(C)OC1CC(C(C)C)CCC1O
InChIInChI=1S/C17H34O2/c1-5-6-7-8-9-14(4)19-17-12-15(13(2)3)10-11-16(17)18/h13-18H,5-12H2,1-4H3
InChIKeyRAVKMIOYZRJGOA-UHFFFAOYSA-N
MW270.46 g/mol
LogP4.55
Rot. Bonds8

About 2-octan-2-yloxy-4-propan-2-ylcyclohexan-1-ol

2-octan-2-yloxy-4-propan-2-ylcyclohexan-1-ol (PubChem CID 55192847) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-octan-2-yloxy-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-octan-2-yloxy-4-propan-2-ylcyclohexan-1-ol
PubChem CID55192847
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name2-octan-2-yloxy-4-propan-2-ylcyclohexan-1-ol
SMILESCCCCCCC(C)OC1CC(C(C)C)CCC1O
InChIInChI=1S/C17H34O2/c1-5-6-7-8-9-14(4)19-17-12-15(13(2)3)10-11-16(17)18/h13-18H,5-12H2,1-4H3
InChIKeyRAVKMIOYZRJGOA-UHFFFAOYSA-N
XLogP4.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-octan-2-yloxy-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-octan-2-yloxy-4-propan-2-ylcyclohexan-1-ol (CID 55192847) is 2-octan-2-yloxy-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-octan-2-yloxy-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-octan-2-yloxy-4-propan-2-ylcyclohexan-1-ol is CCCCCCC(C)OC1CC(C(C)C)CCC1O.
What is the InChIKey of 2-octan-2-yloxy-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is RAVKMIOYZRJGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-5-6-7-8-9-14(4)19-17-12-15(13(2)3)10-11-16(17)18/h13-18H,5-12H2,1-4H3.
What are the key properties of 2-octan-2-yloxy-4-propan-2-ylcyclohexan-1-ol?
2-octan-2-yloxy-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octan-2-yloxy-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 55192847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).