(1R)-4-ethyl-6-methyl-1-phenyl-3-[(Z)-prop-1-enyl]-1,2,4a,5-tetrahydronaphthalene

C22H26 — CID 143477595

IUPAC(1R)-4-ethyl-6-methyl-1-phenyl-3-[(Z)-prop-1-enyl]-1,2,4a,5-tetrahydronaphthalene
SMILESC/C=C\C1=C(CC)C2CC(C)=CC=C2[C@@H](c2ccccc2)C1
InChIInChI=1S/C22H26/c1-4-9-18-15-21(17-10-7-6-8-11-17)20-13-12-16(3)14-22(20)19(18)5-2/h4,6-13,21-22H,5,14-15H2,1-3H3/b9-4-/t21-,22?/m1/s1
InChIKeyQAQRNQAEXXPUNA-NKZQKCHBSA-N
MW290.45 g/mol
LogP6.35
Rot. Bonds3

About (1R)-4-ethyl-6-methyl-1-phenyl-3-[(Z)-prop-1-enyl]-1,2,4a,5-tetrahydronaphthalene

(1R)-4-ethyl-6-methyl-1-phenyl-3-[(Z)-prop-1-enyl]-1,2,4a,5-tetrahydronaphthalene (PubChem CID 143477595) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is (1R)-4-ethyl-6-methyl-1-phenyl-3-[(Z)-prop-1-enyl]-1,2,4a,5-tetrahydronaphthalene.

Molecular Properties

Compound Name(1R)-4-ethyl-6-methyl-1-phenyl-3-[(Z)-prop-1-enyl]-1,2,4a,5-tetrahydronaphthalene
PubChem CID143477595
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name(1R)-4-ethyl-6-methyl-1-phenyl-3-[(Z)-prop-1-enyl]-1,2,4a,5-tetrahydronaphthalene
SMILESC/C=C\C1=C(CC)C2CC(C)=CC=C2[C@@H](c2ccccc2)C1
InChIInChI=1S/C22H26/c1-4-9-18-15-21(17-10-7-6-8-11-17)20-13-12-16(3)14-22(20)19(18)5-2/h4,6-13,21-22H,5,14-15H2,1-3H3/b9-4-/t21-,22?/m1/s1
InChIKeyQAQRNQAEXXPUNA-NKZQKCHBSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1R)-4-ethyl-6-methyl-1-phenyl-3-[(Z)-prop-1-enyl]-1,2,4a,5-tetrahydronaphthalene?
The IUPAC name of (1R)-4-ethyl-6-methyl-1-phenyl-3-[(Z)-prop-1-enyl]-1,2,4a,5-tetrahydronaphthalene (CID 143477595) is (1R)-4-ethyl-6-methyl-1-phenyl-3-[(Z)-prop-1-enyl]-1,2,4a,5-tetrahydronaphthalene.
What is the SMILES notation for (1R)-4-ethyl-6-methyl-1-phenyl-3-[(Z)-prop-1-enyl]-1,2,4a,5-tetrahydronaphthalene?
The canonical SMILES for (1R)-4-ethyl-6-methyl-1-phenyl-3-[(Z)-prop-1-enyl]-1,2,4a,5-tetrahydronaphthalene is C/C=C\C1=C(CC)C2CC(C)=CC=C2[C@@H](c2ccccc2)C1.
What is the InChIKey of (1R)-4-ethyl-6-methyl-1-phenyl-3-[(Z)-prop-1-enyl]-1,2,4a,5-tetrahydronaphthalene?
The InChIKey is QAQRNQAEXXPUNA-NKZQKCHBSA-N. The full InChI is InChI=1S/C22H26/c1-4-9-18-15-21(17-10-7-6-8-11-17)20-13-12-16(3)14-22(20)19(18)5-2/h4,6-13,21-22H,5,14-15H2,1-3H3/b9-4-/t21-,22?/m1/s1.
What are the key properties of (1R)-4-ethyl-6-methyl-1-phenyl-3-[(Z)-prop-1-enyl]-1,2,4a,5-tetrahydronaphthalene?
(1R)-4-ethyl-6-methyl-1-phenyl-3-[(Z)-prop-1-enyl]-1,2,4a,5-tetrahydronaphthalene has a molecular weight of 290.45 g/mol, XLogP of 6.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-ethyl-6-methyl-1-phenyl-3-[(Z)-prop-1-enyl]-1,2,4a,5-tetrahydronaphthalene is sourced from PubChem (CID 143477595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).