5-ethoxy-7,8-dimethyl-2,3,4,7-tetrahydro-1H-naphthalen-4a-ol

C14H22O2 — CID 71146533

IUPAC5-ethoxy-7,8-dimethyl-2,3,4,7-tetrahydro-1H-naphthalen-4a-ol
SMILESCCOC1=CC(C)C(C)=C2CCCCC12O
InChIInChI=1S/C14H22O2/c1-4-16-13-9-10(2)11(3)12-7-5-6-8-14(12,13)15/h9-10,15H,4-8H2,1-3H3
InChIKeyBIDALOQRFFVYAH-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.18
Rot. Bonds2

About 5-ethoxy-7,8-dimethyl-2,3,4,7-tetrahydro-1H-naphthalen-4a-ol

5-ethoxy-7,8-dimethyl-2,3,4,7-tetrahydro-1H-naphthalen-4a-ol (PubChem CID 71146533) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-ethoxy-7,8-dimethyl-2,3,4,7-tetrahydro-1H-naphthalen-4a-ol.

Molecular Properties

Compound Name5-ethoxy-7,8-dimethyl-2,3,4,7-tetrahydro-1H-naphthalen-4a-ol
PubChem CID71146533
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name5-ethoxy-7,8-dimethyl-2,3,4,7-tetrahydro-1H-naphthalen-4a-ol
SMILESCCOC1=CC(C)C(C)=C2CCCCC12O
InChIInChI=1S/C14H22O2/c1-4-16-13-9-10(2)11(3)12-7-5-6-8-14(12,13)15/h9-10,15H,4-8H2,1-3H3
InChIKeyBIDALOQRFFVYAH-UHFFFAOYSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-ethoxy-7,8-dimethyl-2,3,4,7-tetrahydro-1H-naphthalen-4a-ol?
The IUPAC name of 5-ethoxy-7,8-dimethyl-2,3,4,7-tetrahydro-1H-naphthalen-4a-ol (CID 71146533) is 5-ethoxy-7,8-dimethyl-2,3,4,7-tetrahydro-1H-naphthalen-4a-ol.
What is the SMILES notation for 5-ethoxy-7,8-dimethyl-2,3,4,7-tetrahydro-1H-naphthalen-4a-ol?
The canonical SMILES for 5-ethoxy-7,8-dimethyl-2,3,4,7-tetrahydro-1H-naphthalen-4a-ol is CCOC1=CC(C)C(C)=C2CCCCC12O.
What is the InChIKey of 5-ethoxy-7,8-dimethyl-2,3,4,7-tetrahydro-1H-naphthalen-4a-ol?
The InChIKey is BIDALOQRFFVYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-16-13-9-10(2)11(3)12-7-5-6-8-14(12,13)15/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 5-ethoxy-7,8-dimethyl-2,3,4,7-tetrahydro-1H-naphthalen-4a-ol?
5-ethoxy-7,8-dimethyl-2,3,4,7-tetrahydro-1H-naphthalen-4a-ol has a molecular weight of 222.33 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-7,8-dimethyl-2,3,4,7-tetrahydro-1H-naphthalen-4a-ol is sourced from PubChem (CID 71146533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).