3-ethyl-5,6-dimethyl-4-octoxycyclohex-2-en-1-ol

C18H34O2 — CID 59229171

IUPAC3-ethyl-5,6-dimethyl-4-octoxycyclohex-2-en-1-ol
SMILESCCCCCCCCOC1C(CC)=CC(O)C(C)C1C
InChIInChI=1S/C18H34O2/c1-5-7-8-9-10-11-12-20-18-15(4)14(3)17(19)13-16(18)6-2/h13-15,17-19H,5-12H2,1-4H3
InChIKeyOJSHEQUXTNKLIP-UHFFFAOYSA-N
MW282.47 g/mol
LogP4.72
Rot. Bonds9

About 3-ethyl-5,6-dimethyl-4-octoxycyclohex-2-en-1-ol

3-ethyl-5,6-dimethyl-4-octoxycyclohex-2-en-1-ol (PubChem CID 59229171) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 3-ethyl-5,6-dimethyl-4-octoxycyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-ethyl-5,6-dimethyl-4-octoxycyclohex-2-en-1-ol
PubChem CID59229171
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name3-ethyl-5,6-dimethyl-4-octoxycyclohex-2-en-1-ol
SMILESCCCCCCCCOC1C(CC)=CC(O)C(C)C1C
InChIInChI=1S/C18H34O2/c1-5-7-8-9-10-11-12-20-18-15(4)14(3)17(19)13-16(18)6-2/h13-15,17-19H,5-12H2,1-4H3
InChIKeyOJSHEQUXTNKLIP-UHFFFAOYSA-N
XLogP4.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6-dimethyl-4-octoxycyclohex-2-en-1-ol?
The IUPAC name of 3-ethyl-5,6-dimethyl-4-octoxycyclohex-2-en-1-ol (CID 59229171) is 3-ethyl-5,6-dimethyl-4-octoxycyclohex-2-en-1-ol.
What is the SMILES notation for 3-ethyl-5,6-dimethyl-4-octoxycyclohex-2-en-1-ol?
The canonical SMILES for 3-ethyl-5,6-dimethyl-4-octoxycyclohex-2-en-1-ol is CCCCCCCCOC1C(CC)=CC(O)C(C)C1C.
What is the InChIKey of 3-ethyl-5,6-dimethyl-4-octoxycyclohex-2-en-1-ol?
The InChIKey is OJSHEQUXTNKLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-5-7-8-9-10-11-12-20-18-15(4)14(3)17(19)13-16(18)6-2/h13-15,17-19H,5-12H2,1-4H3.
What are the key properties of 3-ethyl-5,6-dimethyl-4-octoxycyclohex-2-en-1-ol?
3-ethyl-5,6-dimethyl-4-octoxycyclohex-2-en-1-ol has a molecular weight of 282.47 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,6-dimethyl-4-octoxycyclohex-2-en-1-ol is sourced from PubChem (CID 59229171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).