3-ethoxy-1,2,4a,8a-tetrahydronaphthalene

C12H16O — CID 57127371

IUPAC3-ethoxy-1,2,4a,8a-tetrahydronaphthalene
SMILESCCOC1=CC2C=CC=CC2CC1
InChIInChI=1S/C12H16O/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h3-6,9-11H,2,7-8H2,1H3
InChIKeyUKYDUXDKGSWSRC-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.06
Rot. Bonds2

About 3-ethoxy-1,2,4a,8a-tetrahydronaphthalene

3-ethoxy-1,2,4a,8a-tetrahydronaphthalene (PubChem CID 57127371) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-ethoxy-1,2,4a,8a-tetrahydronaphthalene.

Molecular Properties

Compound Name3-ethoxy-1,2,4a,8a-tetrahydronaphthalene
PubChem CID57127371
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name3-ethoxy-1,2,4a,8a-tetrahydronaphthalene
SMILESCCOC1=CC2C=CC=CC2CC1
InChIInChI=1S/C12H16O/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h3-6,9-11H,2,7-8H2,1H3
InChIKeyUKYDUXDKGSWSRC-UHFFFAOYSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydro-4h-chromene
CID 18678319
8-Oxatricyclo[10.4.0.02,7]hexadeca-4,6,9,13,15-pentaene
CID 123166540
Tetrahydro-8-methyl-2h-chromene
CID 129886208
4-Ethyl-1-[(5-fluorocyclohex-3-en-1-yl)methoxy]cyclohexene
CID 141859990
6,6-Dimethyl-1,6a,10a,10b-tetrahydrobenzo[c]chromene
CID 91021904
4-(1,1-Dimethylethyl)-1-ethoxycyclohexene
CID 11745269
1-Propan-2-yl-4-propan-2-yloxycyclohexa-1,3-diene
CID 13411472
5-Methoxy-1,2,3,4,4a,8a-hexahydronaphthalene
CID 20027000
3-Methyl-1-propoxycyclohexene
CID 20523449
1-Ethoxy-5-methylcyclohexene
CID 22400895
2-methyl-3,4,4a,5-tetrahydro-2H-chromene
CID 22995355
8,8-Dimethyl-1,6,7,8a-tetrahydroisochromene
CID 57077631

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,2,4a,8a-tetrahydronaphthalene?
The IUPAC name of 3-ethoxy-1,2,4a,8a-tetrahydronaphthalene (CID 57127371) is 3-ethoxy-1,2,4a,8a-tetrahydronaphthalene.
What is the SMILES notation for 3-ethoxy-1,2,4a,8a-tetrahydronaphthalene?
The canonical SMILES for 3-ethoxy-1,2,4a,8a-tetrahydronaphthalene is CCOC1=CC2C=CC=CC2CC1.
What is the InChIKey of 3-ethoxy-1,2,4a,8a-tetrahydronaphthalene?
The InChIKey is UKYDUXDKGSWSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h3-6,9-11H,2,7-8H2,1H3.
What are the key properties of 3-ethoxy-1,2,4a,8a-tetrahydronaphthalene?
3-ethoxy-1,2,4a,8a-tetrahydronaphthalene has a molecular weight of 176.26 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,2,4a,8a-tetrahydronaphthalene is sourced from PubChem (CID 57127371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).