6-ethoxy-1,2,3,4,4a,8a-hexahydronaphthalene

C12H18O — CID 59837874

IUPAC6-ethoxy-1,2,3,4,4a,8a-hexahydronaphthalene
SMILESCCOC1=CC2CCCCC2C=C1
InChIInChI=1S/C12H18O/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h7-11H,2-6H2,1H3
InChIKeyCVCXIEKZOSSVJS-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.28
Rot. Bonds2

About 6-ethoxy-1,2,3,4,4a,8a-hexahydronaphthalene

6-ethoxy-1,2,3,4,4a,8a-hexahydronaphthalene (PubChem CID 59837874) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 6-ethoxy-1,2,3,4,4a,8a-hexahydronaphthalene.

Molecular Properties

Compound Name6-ethoxy-1,2,3,4,4a,8a-hexahydronaphthalene
PubChem CID59837874
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name6-ethoxy-1,2,3,4,4a,8a-hexahydronaphthalene
SMILESCCOC1=CC2CCCCC2C=C1
InChIInChI=1S/C12H18O/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h7-11H,2-6H2,1H3
InChIKeyCVCXIEKZOSSVJS-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1,2,3,4,4a,8a-hexahydronaphthalene?
The IUPAC name of 6-ethoxy-1,2,3,4,4a,8a-hexahydronaphthalene (CID 59837874) is 6-ethoxy-1,2,3,4,4a,8a-hexahydronaphthalene.
What is the SMILES notation for 6-ethoxy-1,2,3,4,4a,8a-hexahydronaphthalene?
The canonical SMILES for 6-ethoxy-1,2,3,4,4a,8a-hexahydronaphthalene is CCOC1=CC2CCCCC2C=C1.
What is the InChIKey of 6-ethoxy-1,2,3,4,4a,8a-hexahydronaphthalene?
The InChIKey is CVCXIEKZOSSVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h7-11H,2-6H2,1H3.
What are the key properties of 6-ethoxy-1,2,3,4,4a,8a-hexahydronaphthalene?
6-ethoxy-1,2,3,4,4a,8a-hexahydronaphthalene has a molecular weight of 178.27 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1,2,3,4,4a,8a-hexahydronaphthalene is sourced from PubChem (CID 59837874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).