4-tert-butyl-1-methyl-6-[2-(oxan-2-yloxy)ethyl]cyclohex-3-en-1-ol

C18H32O3 — CID 121367167

IUPAC4-tert-butyl-1-methyl-6-[2-(oxan-2-yloxy)ethyl]cyclohex-3-en-1-ol
SMILESCC(C)(C)C1=CCC(C)(O)C(CCOC2CCCCO2)C1
InChIInChI=1S/C18H32O3/c1-17(2,3)14-8-10-18(4,19)15(13-14)9-12-21-16-7-5-6-11-20-16/h8,15-16,19H,5-7,9-13H2,1-4H3
InChIKeyPNVUDQRIUZBPGW-UHFFFAOYSA-N
MW296.45 g/mol
LogP4.05
Rot. Bonds4

About 4-tert-butyl-1-methyl-6-[2-(oxan-2-yloxy)ethyl]cyclohex-3-en-1-ol

4-tert-butyl-1-methyl-6-[2-(oxan-2-yloxy)ethyl]cyclohex-3-en-1-ol (PubChem CID 121367167) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is 4-tert-butyl-1-methyl-6-[2-(oxan-2-yloxy)ethyl]cyclohex-3-en-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-methyl-6-[2-(oxan-2-yloxy)ethyl]cyclohex-3-en-1-ol
PubChem CID121367167
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name4-tert-butyl-1-methyl-6-[2-(oxan-2-yloxy)ethyl]cyclohex-3-en-1-ol
SMILESCC(C)(C)C1=CCC(C)(O)C(CCOC2CCCCO2)C1
InChIInChI=1S/C18H32O3/c1-17(2,3)14-8-10-18(4,19)15(13-14)9-12-21-16-7-5-6-11-20-16/h8,15-16,19H,5-7,9-13H2,1-4H3
InChIKeyPNVUDQRIUZBPGW-UHFFFAOYSA-N
XLogP4.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methyl-6-[2-(oxan-2-yloxy)ethyl]cyclohex-3-en-1-ol?
The IUPAC name of 4-tert-butyl-1-methyl-6-[2-(oxan-2-yloxy)ethyl]cyclohex-3-en-1-ol (CID 121367167) is 4-tert-butyl-1-methyl-6-[2-(oxan-2-yloxy)ethyl]cyclohex-3-en-1-ol.
What is the SMILES notation for 4-tert-butyl-1-methyl-6-[2-(oxan-2-yloxy)ethyl]cyclohex-3-en-1-ol?
The canonical SMILES for 4-tert-butyl-1-methyl-6-[2-(oxan-2-yloxy)ethyl]cyclohex-3-en-1-ol is CC(C)(C)C1=CCC(C)(O)C(CCOC2CCCCO2)C1.
What is the InChIKey of 4-tert-butyl-1-methyl-6-[2-(oxan-2-yloxy)ethyl]cyclohex-3-en-1-ol?
The InChIKey is PNVUDQRIUZBPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3/c1-17(2,3)14-8-10-18(4,19)15(13-14)9-12-21-16-7-5-6-11-20-16/h8,15-16,19H,5-7,9-13H2,1-4H3.
What are the key properties of 4-tert-butyl-1-methyl-6-[2-(oxan-2-yloxy)ethyl]cyclohex-3-en-1-ol?
4-tert-butyl-1-methyl-6-[2-(oxan-2-yloxy)ethyl]cyclohex-3-en-1-ol has a molecular weight of 296.45 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-methyl-6-[2-(oxan-2-yloxy)ethyl]cyclohex-3-en-1-ol is sourced from PubChem (CID 121367167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).