4a,8a-diethyl-1,4,5,8-tetrahydronaphthalene

C14H22 — CID 12536948

IUPAC4a,8a-diethyl-1,4,5,8-tetrahydronaphthalene
SMILESCCC12CC=CCC1(CC)CC=CC2
InChIInChI=1S/C14H22/c1-3-13-9-5-7-11-14(13,4-2)12-8-6-10-13/h5-8H,3-4,9-12H2,1-2H3
InChIKeyDSQDBJZOETYKFD-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.48
Rot. Bonds2

About 4a,8a-diethyl-1,4,5,8-tetrahydronaphthalene

4a,8a-diethyl-1,4,5,8-tetrahydronaphthalene (PubChem CID 12536948) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 4a,8a-diethyl-1,4,5,8-tetrahydronaphthalene.

Molecular Properties

Compound Name4a,8a-diethyl-1,4,5,8-tetrahydronaphthalene
PubChem CID12536948
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name4a,8a-diethyl-1,4,5,8-tetrahydronaphthalene
SMILESCCC12CC=CCC1(CC)CC=CC2
InChIInChI=1S/C14H22/c1-3-13-9-5-7-11-14(13,4-2)12-8-6-10-13/h5-8H,3-4,9-12H2,1-2H3
InChIKeyDSQDBJZOETYKFD-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 101312130
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(1E,4E)-7,7-diethyl-6-methylcycloocta-1,4-diene
CID 145019487
1,5-diethylcyclohex-3-en-1-ol
CID 101312159
4-(chloromethyl)-4-(2-methoxypropyl)cyclopentene
CID 165443643
(1E,4E)-7,7-diethyl-6-methylcycloocta-1,4-diene;ethane
CID 145019486
4,4-diethyl-1-methyl-3,5-dihydro-2H-pyridin-1-ium
CID 169132162
4-(bromomethyl)-4-(2,2-dimethylpropyl)cyclopentene
CID 165443080
1-ethylcyclopent-3-ene-1-carbonyl chloride
CID 178083189
(1R,6S)-1-ethyl-7-oxabicyclo[4.1.0]hept-3-ene
CID 125480691
4-(bromomethyl)-4-(2,2-difluoropropyl)cyclopentene
CID 165446155
4-ethyl-4-propan-2-ylcyclohexene
CID 23385010

Frequently Asked Questions

What is the IUPAC name of 4a,8a-diethyl-1,4,5,8-tetrahydronaphthalene?
The IUPAC name of 4a,8a-diethyl-1,4,5,8-tetrahydronaphthalene (CID 12536948) is 4a,8a-diethyl-1,4,5,8-tetrahydronaphthalene.
What is the SMILES notation for 4a,8a-diethyl-1,4,5,8-tetrahydronaphthalene?
The canonical SMILES for 4a,8a-diethyl-1,4,5,8-tetrahydronaphthalene is CCC12CC=CCC1(CC)CC=CC2.
What is the InChIKey of 4a,8a-diethyl-1,4,5,8-tetrahydronaphthalene?
The InChIKey is DSQDBJZOETYKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-3-13-9-5-7-11-14(13,4-2)12-8-6-10-13/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of 4a,8a-diethyl-1,4,5,8-tetrahydronaphthalene?
4a,8a-diethyl-1,4,5,8-tetrahydronaphthalene has a molecular weight of 190.33 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,8a-diethyl-1,4,5,8-tetrahydronaphthalene is sourced from PubChem (CID 12536948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).