5-ethyl-1,4-dimethyl-4a,8a-dihydronaphthalene

C14H18 — CID 123465599

IUPAC5-ethyl-1,4-dimethyl-4a,8a-dihydronaphthalene
SMILESCCC1=CC=CC2C(C)=CC=C(C)C12
InChIInChI=1S/C14H18/c1-4-12-6-5-7-13-10(2)8-9-11(3)14(12)13/h5-9,13-14H,4H2,1-3H3
InChIKeyVXQVNCOHVTYCIE-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.03
Rot. Bonds1

About 5-ethyl-1,4-dimethyl-4a,8a-dihydronaphthalene

5-ethyl-1,4-dimethyl-4a,8a-dihydronaphthalene (PubChem CID 123465599) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 5-ethyl-1,4-dimethyl-4a,8a-dihydronaphthalene.

Molecular Properties

Compound Name5-ethyl-1,4-dimethyl-4a,8a-dihydronaphthalene
PubChem CID123465599
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name5-ethyl-1,4-dimethyl-4a,8a-dihydronaphthalene
SMILESCCC1=CC=CC2C(C)=CC=C(C)C12
InChIInChI=1S/C14H18/c1-4-12-6-5-7-13-10(2)8-9-11(3)14(12)13/h5-9,13-14H,4H2,1-3H3
InChIKeyVXQVNCOHVTYCIE-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,5-dimethyl-4a,8a-dihydronaphthalene
CID 15555373
1-ethyl-5-methylcyclopenta-1,3-diene;titanium
CID 174586212
tris(2-ethylcyclopenta-2,4-dien-1-yl)gallane
CID 90472027
1,4,5,8-tetramethyl-4a,8a-dihydronaphthalene
CID 123483925
5-cyclopenta-2,4-dien-1-yl-1-methylcyclopenta-1,3-diene
CID 15153107
[(2-ethylcyclopenta-2,4-dien-1-yl)-phenylmethyl]benzene
CID 141345784
1-[(2-ethylcyclopenta-2,4-dien-1-yl)-(3-methylphenyl)methyl]-3-methylbenzene
CID 141345910
(2-ethylcyclopenta-2,4-dien-1-yl)-dimethyl-phenylsilane
CID 173383828
1-[(1R)-2-methyl-1,8a-dihydronaphthalen-1-yl]naphthalen-2-amine
CID 89297059
5-ethyl-1-methylcyclopenta-1,3-diene;zirconium
CID 174480291
1-butyl-5-cyclopentylcyclopenta-1,3-diene
CID 159612509
1-ethyl-6-methylcyclohexa-1,3-diene
CID 91435039

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,4-dimethyl-4a,8a-dihydronaphthalene?
The IUPAC name of 5-ethyl-1,4-dimethyl-4a,8a-dihydronaphthalene (CID 123465599) is 5-ethyl-1,4-dimethyl-4a,8a-dihydronaphthalene.
What is the SMILES notation for 5-ethyl-1,4-dimethyl-4a,8a-dihydronaphthalene?
The canonical SMILES for 5-ethyl-1,4-dimethyl-4a,8a-dihydronaphthalene is CCC1=CC=CC2C(C)=CC=C(C)C12.
What is the InChIKey of 5-ethyl-1,4-dimethyl-4a,8a-dihydronaphthalene?
The InChIKey is VXQVNCOHVTYCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-4-12-6-5-7-13-10(2)8-9-11(3)14(12)13/h5-9,13-14H,4H2,1-3H3.
What are the key properties of 5-ethyl-1,4-dimethyl-4a,8a-dihydronaphthalene?
5-ethyl-1,4-dimethyl-4a,8a-dihydronaphthalene has a molecular weight of 186.30 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,4-dimethyl-4a,8a-dihydronaphthalene is sourced from PubChem (CID 123465599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).