4-ethyl-1,2-dimethyl-3-[(Z)-prop-1-enyl]-1,2,5,6-tetrahydronaphthalene

C17H24 — CID 143477485

IUPAC4-ethyl-1,2-dimethyl-3-[(Z)-prop-1-enyl]-1,2,5,6-tetrahydronaphthalene
SMILESC/C=C\C1=C(CC)C2=C(C=CCC2)C(C)C1C
InChIInChI=1S/C17H24/c1-5-9-15-12(3)13(4)16-10-7-8-11-17(16)14(15)6-2/h5,7,9-10,12-13H,6,8,11H2,1-4H3/b9-5-
InChIKeyKPVHQYULIVOGBM-UITAMQMPSA-N
MW228.38 g/mol
LogP5.20
Rot. Bonds2

About 4-ethyl-1,2-dimethyl-3-[(Z)-prop-1-enyl]-1,2,5,6-tetrahydronaphthalene

4-ethyl-1,2-dimethyl-3-[(Z)-prop-1-enyl]-1,2,5,6-tetrahydronaphthalene (PubChem CID 143477485) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-ethyl-1,2-dimethyl-3-[(Z)-prop-1-enyl]-1,2,5,6-tetrahydronaphthalene.

Molecular Properties

Compound Name4-ethyl-1,2-dimethyl-3-[(Z)-prop-1-enyl]-1,2,5,6-tetrahydronaphthalene
PubChem CID143477485
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name4-ethyl-1,2-dimethyl-3-[(Z)-prop-1-enyl]-1,2,5,6-tetrahydronaphthalene
SMILESC/C=C\C1=C(CC)C2=C(C=CCC2)C(C)C1C
InChIInChI=1S/C17H24/c1-5-9-15-12(3)13(4)16-10-7-8-11-17(16)14(15)6-2/h5,7,9-10,12-13H,6,8,11H2,1-4H3/b9-5-
InChIKeyKPVHQYULIVOGBM-UITAMQMPSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethenyl-1-methyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1H-indene
CID 142148041
2,3-dimethyl-6,7-dihydro-3H-isoindol-1-one;propane
CID 177163858
1,2-diethyl-3-methyl-2,3,6,7-tetrahydroindole
CID 166657806
1-[(E)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-indene
CID 142636500
1-methyl-2-prop-1-enyl-4,5-dihydrobenzimidazole
CID 77379270
3-(chlorosulfonylmethyl)-2-prop-1-enylcyclohexa-1,5-diene-1-sulfonyl chloride
CID 72591870
3-methyl-2,3,6,7-tetrahydro-1-benzofuran
CID 89060479
1-methyl-1,2,5,6-tetrahydronaphthalene
CID 90700254
1-ethyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene;formamide
CID 142335260
2-ethyl-1-fluorocyclohexa-1,3-diene
CID 19009785
3-methyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1H-indole
CID 167147131
(Z)-but-2-ene;1,4-diethylcyclohexa-1,3-diene
CID 143221988

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,2-dimethyl-3-[(Z)-prop-1-enyl]-1,2,5,6-tetrahydronaphthalene?
The IUPAC name of 4-ethyl-1,2-dimethyl-3-[(Z)-prop-1-enyl]-1,2,5,6-tetrahydronaphthalene (CID 143477485) is 4-ethyl-1,2-dimethyl-3-[(Z)-prop-1-enyl]-1,2,5,6-tetrahydronaphthalene.
What is the SMILES notation for 4-ethyl-1,2-dimethyl-3-[(Z)-prop-1-enyl]-1,2,5,6-tetrahydronaphthalene?
The canonical SMILES for 4-ethyl-1,2-dimethyl-3-[(Z)-prop-1-enyl]-1,2,5,6-tetrahydronaphthalene is C/C=C\C1=C(CC)C2=C(C=CCC2)C(C)C1C.
What is the InChIKey of 4-ethyl-1,2-dimethyl-3-[(Z)-prop-1-enyl]-1,2,5,6-tetrahydronaphthalene?
The InChIKey is KPVHQYULIVOGBM-UITAMQMPSA-N. The full InChI is InChI=1S/C17H24/c1-5-9-15-12(3)13(4)16-10-7-8-11-17(16)14(15)6-2/h5,7,9-10,12-13H,6,8,11H2,1-4H3/b9-5-.
What are the key properties of 4-ethyl-1,2-dimethyl-3-[(Z)-prop-1-enyl]-1,2,5,6-tetrahydronaphthalene?
4-ethyl-1,2-dimethyl-3-[(Z)-prop-1-enyl]-1,2,5,6-tetrahydronaphthalene has a molecular weight of 228.38 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,2-dimethyl-3-[(Z)-prop-1-enyl]-1,2,5,6-tetrahydronaphthalene is sourced from PubChem (CID 143477485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).